3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C19H20N6O4 — CID 19491840

IUPAC3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccnn2CCC(=O)O)c1
InChIInChI=1S/C19H20N6O4/c1-2-24-15(6-9-20-24)18(28)22-13-4-3-5-14(12-13)23-19(29)16-7-10-21-25(16)11-8-17(26)27/h3-7,9-10,12H,2,8,11H2,1H3,(H,22,28)(H,23,29)(H,26,27)
InChIKeyIANLWUBQGCSHKW-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.08
Rot. Bonds8

About 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491840) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491840
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccnn2CCC(=O)O)c1
InChIInChI=1S/C19H20N6O4/c1-2-24-15(6-9-20-24)18(28)22-13-4-3-5-14(12-13)23-19(29)16-7-10-21-25(16)11-8-17(26)27/h3-7,9-10,12H,2,8,11H2,1H3,(H,22,28)(H,23,29)(H,26,27)
InChIKeyIANLWUBQGCSHKW-UHFFFAOYSA-N
XLogP2.08
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19262615
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490113
N-[3-[3-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19541604
3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490016
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
2-ethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 19578896
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480818
N-[3-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19554288

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19491840) is 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccnn2CCC(=O)O)c1.
What is the InChIKey of 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is IANLWUBQGCSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-2-24-15(6-9-20-24)18(28)22-13-4-3-5-14(12-13)23-19(29)16-7-10-21-25(16)11-8-17(26)27/h3-7,9-10,12H,2,8,11H2,1H3,(H,22,28)(H,23,29)(H,26,27).
What are the key properties of 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 396.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).