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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

C93H126F6N18O2 — CID 158639639

IUPACN-[[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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(C)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1
InChIInChI=1S/2C17H24FN3O.3C15H20FN3.C14H18FN3/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;1-4-9-18(2)10-13-11-19(3)17-15(13)12-5-7-14(16)8-6-12;1-4-9-18(2)11-13-10-17-19(3)15(13)12-5-7-14(16)8-6-12;1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyIAFFPBARELOZSN-UHFFFAOYSA-N
MW1642.14 g/mol
LogP19.00
Rot. Bonds37

About 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine

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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158639639) has the molecular formula C93H126F6N18O2 and a molecular weight of 1642.14 g/mol. Its IUPAC name is 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
PubChem CID158639639
Molecular FormulaC93H126F6N18O2
Molecular Weight1642.14 g/mol
Exact Mass1641.02
IUPAC NameN-[[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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(C)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1
InChIInChI=1S/2C17H24FN3O.3C15H20FN3.C14H18FN3/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;1-4-9-18(2)10-13-11-19(3)17-15(13)12-5-7-14(16)8-6-12;1-4-9-18(2)11-13-10-17-19(3)15(13)12-5-7-14(16)8-6-12;1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17)
InChIKeyIAFFPBARELOZSN-UHFFFAOYSA-N
XLogP19.00
TPSA166.54 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds37
Heavy Atoms119
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001642.14
LogP ≤ 519.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (CID 158639639) is 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(C)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.
What is the InChIKey of 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is IAFFPBARELOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H24FN3O.3C15H20FN3.C14H18FN3/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;1-4-9-18(2)10-13-11-19(3)17-15(13)12-5-7-14(16)8-6-12;1-4-9-18(2)11-13-10-17-19(3)15(13)12-5-7-14(16)8-6-12;1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17).
What are the key properties of 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine?
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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 1642.14 g/mol, XLogP of 19.00, 37 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 158639639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).