2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

C12H15N5O3 — CID 19623498

IUPAC2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O3/c1-8(12(19)20)17-4-3-10(15-17)11(18)13-5-9-6-14-16(2)7-9/h3-4,6-8H,5H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyDZYXISINLCWXNR-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.19
Rot. Bonds5

About 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623498) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623498
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)NCc2cnn(C)c2)n1
InChIInChI=1S/C12H15N5O3/c1-8(12(19)20)17-4-3-10(15-17)11(18)13-5-9-6-14-16(2)7-9/h3-4,6-8H,5H2,1-2H3,(H,13,18)(H,19,20)
InChIKeyDZYXISINLCWXNR-UHFFFAOYSA-N
XLogP0.19
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
2-[3-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504324
2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504318
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
2-[3-[2-(4-methoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623530
1-(3-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 155235025
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19275315
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19623498) is 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)NCc2cnn(C)c2)n1.
What is the InChIKey of 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DZYXISINLCWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(12(19)20)17-4-3-10(15-17)11(18)13-5-9-6-14-16(2)7-9/h3-4,6-8H,5H2,1-2H3,(H,13,18)(H,19,20).
What are the key properties of 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).