2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride

C16H23ClN4O — CID 119301023

IUPAC2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1cccc(Cn2cccn2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-5-15(17)16(21)18-11-13-6-3-7-14(10-13)12-20-9-4-8-19-20;/h3-4,6-10,15H,2,5,11-12,17H2,1H3,(H,18,21);1H
InChIKeyILMBGNJZNKXKDS-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.10
Rot. Bonds7

About 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride

2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119301023) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119301023
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1cccc(Cn2cccn2)c1.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-2-5-15(17)16(21)18-11-13-6-3-7-14(10-13)12-20-9-4-8-19-20;/h3-4,6-10,15H,2,5,11-12,17H2,1H3,(H,18,21);1H
InChIKeyILMBGNJZNKXKDS-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-amino-N-[(1-benzylpyrazol-4-yl)methyl]pentanamide
CID 119291880
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
2-amino-N-benzylpentanamide
CID 11020044
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
2-amino-3-methoxy-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 120986988
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55953640
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride (CID 119301023) is 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1cccc(Cn2cccn2)c1.Cl.
What is the InChIKey of 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is ILMBGNJZNKXKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-2-5-15(17)16(21)18-11-13-6-3-7-14(10-13)12-20-9-4-8-19-20;/h3-4,6-10,15H,2,5,11-12,17H2,1H3,(H,18,21);1H.
What are the key properties of 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride?
2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119301023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).