3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C14H19N5O3 — CID 19623630

IUPAC3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1c(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cnn1C
InChIInChI=1S/C14H19N5O3/c1-9(11-8-15-18(3)10(11)2)16-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyQFWJSTXKZOHDQD-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.89
Rot. Bonds6

About 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19623630) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19623630
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1c(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cnn1C
InChIInChI=1S/C14H19N5O3/c1-9(11-8-15-18(3)10(11)2)16-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,16,22)(H,20,21)
InChIKeyQFWJSTXKZOHDQD-UHFFFAOYSA-N
XLogP0.89
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]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

3-[3-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623636
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19469126
1-[2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624217
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506544
1-[(2,6-dichlorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19469080
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635
3-[3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19470499

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19623630) is 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1c(C(C)NC(=O)c2ccn(CCC(=O)O)n2)cnn1C.
What is the InChIKey of 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QFWJSTXKZOHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-9(11-8-15-18(3)10(11)2)16-14(22)12-4-6-19(17-12)7-5-13(20)21/h4,6,8-9H,5,7H2,1-3H3,(H,16,22)(H,20,21).
What are the key properties of 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).