(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide

C9H16N4O — CID 93313980

IUPAC(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C9H16N4O/c1-3-4-7(10)9(14)11-8-5-6-13(2)12-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)/t7-/m0/s1
InChIKeyHQSIBVPEGXSZFH-ZETCQYMHSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide

(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide (PubChem CID 93313980) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
PubChem CID93313980
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C9H16N4O/c1-3-4-7(10)9(14)11-8-5-6-13(2)12-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)/t7-/m0/s1
InChIKeyHQSIBVPEGXSZFH-ZETCQYMHSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
2-cyano-N-(1-methylpyrazol-3-yl)pentanamide
CID 55208289
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
CID 79778666
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
CID 112723457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide (CID 93313980) is (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide is CCC[C@H](N)C(=O)Nc1ccn(C)n1.
What is the InChIKey of (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide?
The InChIKey is HQSIBVPEGXSZFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-4-7(10)9(14)11-8-5-6-13(2)12-8/h5-7H,3-4,10H2,1-2H3,(H,11,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide?
(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 93313980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).