3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide

C16H22N4O — CID 81083953

IUPAC3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-2-13(11-17)10-16(21)18-12-14-6-3-4-7-15(14)20-9-5-8-19-20/h3-9,13H,2,10-12,17H2,1H3,(H,18,21)
InChIKeyFEPBHIMALGIJFY-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.86
Rot. Bonds7

About 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide

3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide (PubChem CID 81083953) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
PubChem CID81083953
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C16H22N4O/c1-2-13(11-17)10-16(21)18-12-14-6-3-4-7-15(14)20-9-5-8-19-20/h3-9,13H,2,10-12,17H2,1H3,(H,18,21)
InChIKeyFEPBHIMALGIJFY-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
3-(aminomethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 81079708
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide (CID 81083953) is 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
The InChIKey is FEPBHIMALGIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-13(11-17)10-16(21)18-12-14-6-3-4-7-15(14)20-9-5-8-19-20/h3-9,13H,2,10-12,17H2,1H3,(H,18,21).
What are the key properties of 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide?
3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide is sourced from PubChem (CID 81083953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).