(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide

C9H16N4O — CID 82873249

IUPAC(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCC[C@@H](N)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H16N4O/c1-3-8(10)9(14)11-6-7-4-5-13(2)12-7/h4-5,8H,3,6,10H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeySFUZNTZNLZBCIE-MRVPVSSYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds4

About (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide

(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 82873249) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID82873249
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCC[C@@H](N)C(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H16N4O/c1-3-8(10)9(14)11-6-7-4-5-13(2)12-7/h4-5,8H,3,6,10H2,1-2H3,(H,11,14)/t8-/m1/s1
InChIKeySFUZNTZNLZBCIE-MRVPVSSYSA-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

2-amino-N-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonylbutanamide
CID 82881520
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
2-[methyl-[(1-methylpyrazol-3-yl)methylcarbamoyl]amino]butanoic acid
CID 82873693
2-amino-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 61349106
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
5-amino-N-[(1-methylpyrazol-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 82875126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 82873249) is (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide is CC[C@@H](N)C(=O)NCc1ccn(C)n1.
What is the InChIKey of (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is SFUZNTZNLZBCIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-8(10)9(14)11-6-7-4-5-13(2)12-7/h4-5,8H,3,6,10H2,1-2H3,(H,11,14)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
(2R)-2-amino-N-[(1-methylpyrazol-3-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 (2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 82873249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).