3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride

C14H19ClN4O — CID 119699560

IUPAC3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-11(15)7-14(19)16-8-12-9-17-18(10-12)13-5-3-2-4-6-13;/h2-6,9-11H,7-8,15H2,1H3,(H,16,19);1H
InChIKeyXUPBNZOJFVXSLL-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride (PubChem CID 119699560) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
PubChem CID119699560
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-11(15)7-14(19)16-8-12-9-17-18(10-12)13-5-3-2-4-6-13;/h2-6,9-11H,7-8,15H2,1H3,(H,16,19);1H
InChIKeyXUPBNZOJFVXSLL-UHFFFAOYSA-N
XLogP1.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride (CID 119699560) is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride?
The InChIKey is XUPBNZOJFVXSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-11(15)7-14(19)16-8-12-9-17-18(10-12)13-5-3-2-4-6-13;/h2-6,9-11H,7-8,15H2,1H3,(H,16,19);1H.
What are the key properties of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride?
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119699560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).