(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

C15H20N4O — CID 79012304

IUPAC(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-11(2)14(16)15(20)17-8-12-9-18-19(10-12)13-6-4-3-5-7-13/h3-7,9-11,14H,8,16H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyPJOOISNBRGXLRA-CQSZACIVSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds5

About (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (PubChem CID 79012304) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
PubChem CID79012304
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H20N4O/c1-11(2)14(16)15(20)17-8-12-9-18-19(10-12)13-6-4-3-5-7-13/h3-7,9-11,14H,8,16H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyPJOOISNBRGXLRA-CQSZACIVSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
1-[(2R)-1-hydroxypropan-2-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94029140
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
4-chloro-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide
CID 24609791
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104
(2S)-2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-phenylsulfanylacetamide
CID 26213367
3-(ethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 62838193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (CID 79012304) is (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is CC(C)[C@@H](N)C(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The InChIKey is PJOOISNBRGXLRA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)14(16)15(20)17-8-12-9-18-19(10-12)13-6-4-3-5-7-13/h3-7,9-11,14H,8,16H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 79012304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).