3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid

C10H15N3O3 — CID 65220054

IUPAC3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6(2)7(10(15)16)5-11-9(14)8-3-4-12-13-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyPYEQAPKQPYKARA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.50
Rot. Bonds5

About 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid

3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid (PubChem CID 65220054) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
PubChem CID65220054
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1ccn[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-6(2)7(10(15)16)5-11-9(14)8-3-4-12-13-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
InChIKeyPYEQAPKQPYKARA-UHFFFAOYSA-N
XLogP0.50
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylbutyl)-1H-pyrazole-5-carboxamide
CID 114316784
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
CID 55128680
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
CID 104669732
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 60615566
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
N-(2-hydroxy-2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 111444730
N-(4-chlorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 83179850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid (CID 65220054) is 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid is CC(C)C(CNC(=O)c1ccn[nH]1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid?
The InChIKey is PYEQAPKQPYKARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)7(10(15)16)5-11-9(14)8-3-4-12-13-8/h3-4,6-7H,5H2,1-2H3,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid?
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid is sourced from PubChem (CID 65220054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).