2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid

C15H20N6O4 — CID 19504825

IUPAC2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2cnn(C(C)C(=O)O)c2)nn1C
InChIInChI=1S/C15H20N6O4/c1-9-6-12(19-20(9)3)14(23)17-5-4-16-13(22)11-7-18-21(8-11)10(2)15(24)25/h6-8,10H,4-5H2,1-3H3,(H,16,22)(H,17,23)(H,24,25)
InChIKeyQPMVFWWDWBRWBE-UHFFFAOYSA-N
MW348.36 g/mol
LogP-0.27
Rot. Bonds7

About 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504825) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504825
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2cnn(C(C)C(=O)O)c2)nn1C
InChIInChI=1S/C15H20N6O4/c1-9-6-12(19-20(9)3)14(23)17-5-4-16-13(22)11-7-18-21(8-11)10(2)15(24)25/h6-8,10H,4-5H2,1-3H3,(H,16,22)(H,17,23)(H,24,25)
InChIKeyQPMVFWWDWBRWBE-UHFFFAOYSA-N
XLogP-0.27
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
2-[4-(3-ethoxypropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622068
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
2-[4-(diethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622048
2-[4-[[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504744
3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491969
2-[4-[(2-chlorophenyl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19502955
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622105

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19504825) is 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1cc(C(=O)NCCNC(=O)c2cnn(C(C)C(=O)O)c2)nn1C.
What is the InChIKey of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QPMVFWWDWBRWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-9-6-12(19-20(9)3)14(23)17-5-4-16-13(22)11-7-18-21(8-11)10(2)15(24)25/h6-8,10H,4-5H2,1-3H3,(H,16,22)(H,17,23)(H,24,25).
What are the key properties of 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 348.36 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).