2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

C19H20N6O4 — CID 19504722

IUPAC2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H20N6O4/c1-3-24-11-15(16(23-24)18(27)21-14-7-5-4-6-8-14)22-17(26)13-9-20-25(10-13)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,27)(H,22,26)(H,28,29)
InChIKeyJQSDVXOAMZVOLW-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504722) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504722
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C19H20N6O4/c1-3-24-11-15(16(23-24)18(27)21-14-7-5-4-6-8-14)22-17(26)13-9-20-25(10-13)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,27)(H,22,26)(H,28,29)
InChIKeyJQSDVXOAMZVOLW-UHFFFAOYSA-N
XLogP2.25
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
4-[[2-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 4865294
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19622155
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
1-ethyl-4-[(1-ethylpyrazole-4-carbonyl)amino]-N-methylpyrazole-3-carboxamide
CID 19281178
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500798
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
4-(cyclohexanecarbonylamino)-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504722) is 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1cc(NC(=O)c2cnn(C(C)C(=O)O)c2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is JQSDVXOAMZVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-24-11-15(16(23-24)18(27)21-14-7-5-4-6-8-14)22-17(26)13-9-20-25(10-13)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,27)(H,22,26)(H,28,29).
What are the key properties of 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 396.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).