(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

C9H16N4O — CID 79012897

IUPAC(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-6(2)8(10)9(14)11-3-7-4-12-13-5-7/h4-6,8H,3,10H2,1-2H3,(H,11,14)(H,12,13)/t8-/m1/s1
InChIKeyITWLIIABXHGEOA-MRVPVSSYSA-N
MW196.25 g/mol
LogP0.01
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide

(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (PubChem CID 79012897) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
PubChem CID79012897
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H16N4O/c1-6(2)8(10)9(14)11-3-7-4-12-13-5-7/h4-6,8H,3,10H2,1-2H3,(H,11,14)(H,12,13)/t8-/m1/s1
InChIKeyITWLIIABXHGEOA-MRVPVSSYSA-N
XLogP0.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylmethylamino)ethyl]butanamide
CID 82962080
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
2,2-difluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 103514032
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
2-amino-3-methyl-N-(1H-pyrazol-4-yl)butanamide
CID 43540260
5-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81098482
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide (CID 79012897) is (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is CC(C)[C@@H](N)C(=O)NCc1cn[nH]c1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
The InChIKey is ITWLIIABXHGEOA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)8(10)9(14)11-3-7-4-12-13-5-7/h4-6,8H,3,10H2,1-2H3,(H,11,14)(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide?
(2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide is sourced from PubChem (CID 79012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).