2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide

C9H16N4O — CID 61349106

IUPAC2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCCC(N)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-3-8(10)9(14)11-4-7-5-12-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyPSCGBZXRUUEFCH-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds4

About 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide

2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide (PubChem CID 61349106) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
PubChem CID61349106
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCCC(N)C(=O)NCc1cnn(C)c1
InChIInChI=1S/C9H16N4O/c1-3-8(10)9(14)11-4-7-5-12-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,11,14)
InChIKeyPSCGBZXRUUEFCH-UHFFFAOYSA-N
XLogP-0.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310
3-amino-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 64895759
(2S)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 119750202
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 80682285
(2S)-2-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]hexanamide
CID 103831501
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide;hydrochloride
CID 119956973
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 61348902
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide (CID 61349106) is 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide is CCC(N)C(=O)NCc1cnn(C)c1.
What is the InChIKey of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The InChIKey is PSCGBZXRUUEFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-8(10)9(14)11-4-7-5-12-13(2)6-7/h5-6,8H,3-4,10H2,1-2H3,(H,11,14).
What are the key properties of 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide has a molecular weight of 196.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 61349106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).