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

C12H19N3O3 — CID 43583170

IUPAC2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)14-15-8(10)4/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDIRLPZSOIBOIJF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds5

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

2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 43583170) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID43583170
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1n[nH]c(C)c1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)14-15-8(10)4/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyDIRLPZSOIBOIJF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid (CID 43583170) is 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid is Cc1n[nH]c(C)c1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is DIRLPZSOIBOIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6(2)5-9(12(17)18)13-11(16)10-7(3)14-15-8(10)4/h6,9H,5H2,1-4H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid?
2-[(3,5-dimethyl-1H-pyrazole-4-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 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 43583170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).