(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid

C12H19N3O3 — CID 110835300

IUPAC(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)8(4)14-15-10/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1
InChIKeyJGZOZYTYJXRBRQ-SECBINFHSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 110835300) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID110835300
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)8(4)14-15-10/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1
InChIKeyJGZOZYTYJXRBRQ-SECBINFHSA-N
XLogP1.26
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-methyl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)pentanoic acid
CID 91645213
(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)-methylamino]-4-methylpentanoic acid
CID 110835312
2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 122107248
(2S)-2-[(4-chloro-5-methyl-1H-pyrazole-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 126440936
(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695591
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110849199
2-methylpropyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 176935377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid (CID 110835300) is (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid is Cc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)O)c1C.
What is the InChIKey of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is JGZOZYTYJXRBRQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)8(4)14-15-10/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 110835300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).