N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine

C86H112F5N15O4 — CID 159882998

IUPACN-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(C)Cc1cn(C2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1.CCCN(Cc1cn[nH]c1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/2C18H24FN3O.2C17H22FN3O.C16H20FN3/c1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)9-14-10-21(16-11-22-12-16)19-17(14)13-4-6-15(18)7-5-13;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;1-2-9-20(15-7-8-15)11-13-10-18-19-16(13)12-3-5-14(17)6-4-12/h4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,10,16H,3,8-9,11-12H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;3-6,10,15H,2,7-9,11H2,1H3,(H,18,19)
InChIKeyNTTQAPBBEMHUHT-UHFFFAOYSA-N
MW1514.93 g/mol
LogP16.15
Rot. Bonds32

About N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine

N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine (PubChem CID 159882998) has the molecular formula C86H112F5N15O4 and a molecular weight of 1514.93 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine
PubChem CID159882998
Molecular FormulaC86H112F5N15O4
Molecular Weight1514.93 g/mol
Exact Mass1513.89
IUPAC NameN-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(C)Cc1cn(C2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1.CCCN(Cc1cn[nH]c1-c1ccc(F)cc1)C1CC1
InChIInChI=1S/2C18H24FN3O.2C17H22FN3O.C16H20FN3/c1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)9-14-10-21(16-11-22-12-16)19-17(14)13-4-6-15(18)7-5-13;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;1-2-9-20(15-7-8-15)11-13-10-18-19-16(13)12-3-5-14(17)6-4-12/h4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,10,16H,3,8-9,11-12H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;3-6,10,15H,2,7-9,11H2,1H3,(H,18,19)
InChIKeyNTTQAPBBEMHUHT-UHFFFAOYSA-N
XLogP16.15
TPSA153.08 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001514.93
LogP ≤ 516.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine (CID 159882998) is N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine is CCCN(C)Cc1cn(C2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1.CCCN(Cc1cn[nH]c1-c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine?
The InChIKey is NTTQAPBBEMHUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24FN3O.2C17H22FN3O.C16H20FN3/c1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)9-14-10-21(16-11-22-12-16)19-17(14)13-4-6-15(18)7-5-13;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;1-2-9-20(15-7-8-15)11-13-10-18-19-16(13)12-3-5-14(17)6-4-12/h4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,10,16H,3,8-9,11-12H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;3-6,10,15H,2,7-9,11H2,1H3,(H,18,19).
What are the key properties of N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine?
N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine has a molecular weight of 1514.93 g/mol, XLogP of 16.15, 32 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 159882998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).