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

C15H20N6O4 — CID 19491969

IUPAC3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2ccnn2CCC(=O)O)nn1C
InChIInChI=1S/C15H20N6O4/c1-10-9-11(19-20(10)2)14(24)16-6-7-17-15(25)12-3-5-18-21(12)8-4-13(22)23/h3,5,9H,4,6-8H2,1-2H3,(H,16,24)(H,17,25)(H,22,23)
InChIKeyARLAMFADIJPWTF-UHFFFAOYSA-N
MW348.36 g/mol
LogP-0.44
Rot. Bonds8

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

3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491969) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491969
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1cc(C(=O)NCCNC(=O)c2ccnn2CCC(=O)O)nn1C
InChIInChI=1S/C15H20N6O4/c1-10-9-11(19-20(10)2)14(24)16-6-7-17-15(25)12-3-5-18-21(12)8-4-13(22)23/h3,5,9H,4,6-8H2,1-2H3,(H,16,24)(H,17,25)(H,22,23)
InChIKeyARLAMFADIJPWTF-UHFFFAOYSA-N
XLogP-0.44
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.44
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

3-[5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491990
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]butanoyl chloride
CID 19279626
3-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498431
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490113
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
CID 113225419
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
3-[5-[[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491983
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19504825
3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19490099

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19491969) is 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid is Cc1cc(C(=O)NCCNC(=O)c2ccnn2CCC(=O)O)nn1C.
What is the InChIKey of 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is ARLAMFADIJPWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-10-9-11(19-20(10)2)14(24)16-6-7-17-15(25)12-3-5-18-21(12)8-4-13(22)23/h3,5,9H,4,6-8H2,1-2H3,(H,16,24)(H,17,25)(H,22,23).
What are the key properties of 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 348.36 g/mol, XLogP of -0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).