2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide

C16H22N4O — CID 65229818

IUPAC2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-2-6-14(9-17)16(21)19-15-10-18-20(12-15)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,14H,2,6,9,11,17H2,1H3,(H,19,21)
InChIKeyJQOCXKPWIVFUAL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.24
Rot. Bonds7

About 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide

2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide (PubChem CID 65229818) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
PubChem CID65229818
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H22N4O/c1-2-6-14(9-17)16(21)19-15-10-18-20(12-15)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,14H,2,6,9,11,17H2,1H3,(H,19,21)
InChIKeyJQOCXKPWIVFUAL-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
2-amino-N-(1-benzylpyrazol-4-yl)-3-methoxypropanamide
CID 81083334
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
CID 119666355
2-amino-N-(1-ethylpyrazol-4-yl)-3-phenylpropanamide;hydrochloride
CID 119292189
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide (CID 65229818) is 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide is CCCC(CN)C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide?
The InChIKey is JQOCXKPWIVFUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-6-14(9-17)16(21)19-15-10-18-20(12-15)11-13-7-4-3-5-8-13/h3-5,7-8,10,12,14H,2,6,9,11,17H2,1H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide?
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide has a molecular weight of 286.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide is sourced from PubChem (CID 65229818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).