N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine

C99H138F6N18O2 — CID 158261421

IUPACN-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1ccn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/2C17H24FN3O.2C17H24FN3.C16H21FN2.C15H21FN4/c1-4-9-20(2)12-15-13-21(10-11-22-3)19-17(15)14-5-7-16(18)8-6-14;1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-10-18(2)12-14-9-11-19(3)16(14)13-5-7-15(17)8-6-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGHXJZSSRALQLGV-UHFFFAOYSA-N
MW1726.30 g/mol
LogP20.17
Rot. Bonds42

About N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine

N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158261421) has the molecular formula C99H138F6N18O2 and a molecular weight of 1726.30 g/mol. Its IUPAC name is N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID158261421
Molecular FormulaC99H138F6N18O2
Molecular Weight1726.30 g/mol
Exact Mass1725.12
IUPAC NameN-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1ccn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/2C17H24FN3O.2C17H24FN3.C16H21FN2.C15H21FN4/c1-4-9-20(2)12-15-13-21(10-11-22-3)19-17(15)14-5-7-16(18)8-6-14;1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-10-18(2)12-14-9-11-19(3)16(14)13-5-7-15(17)8-6-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGHXJZSSRALQLGV-UHFFFAOYSA-N
XLogP20.17
TPSA154.82 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms125
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.30
LogP ≤ 520.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine (CID 158261421) is N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine is CCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1ccn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is GHXJZSSRALQLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24FN3O.2C17H24FN3.C16H21FN2.C15H21FN4/c1-4-9-20(2)12-15-13-21(10-11-22-3)19-17(15)14-5-7-16(18)8-6-14;1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-10-18(2)12-14-9-11-19(3)16(14)13-5-7-15(17)8-6-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine?
N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 1726.30 g/mol, XLogP of 20.17, 42 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 158261421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).