2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C19H20N6O4 — CID 19487715

IUPAC2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C(C)C(=O)O)cc2)n1
InChIInChI=1S/C19H20N6O4/c1-3-24-11-9-15(23-24)17(26)21-13-4-6-14(7-5-13)22-18(27)16-8-10-20-25(16)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)
InChIKeyOJISABQMUMIZNY-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.25
Rot. Bonds7

About 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19487715) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19487715
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C(C)C(=O)O)cc2)n1
InChIInChI=1S/C19H20N6O4/c1-3-24-11-9-15(23-24)17(26)21-13-4-6-14(7-5-13)22-18(27)16-8-10-20-25(16)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)
InChIKeyOJISABQMUMIZNY-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-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485877
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487759
2-[5-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487546
2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487864
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485905
2-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487691
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19487715) is 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is CCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccnn3C(C)C(=O)O)cc2)n1.
What is the InChIKey of 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is OJISABQMUMIZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-24-11-9-15(23-24)17(26)21-13-4-6-14(7-5-13)22-18(27)16-8-10-20-25(16)12(2)19(28)29/h4-12H,3H2,1-2H3,(H,21,26)(H,22,27)(H,28,29).
What are the key properties of 2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
2-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]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-[5-[[4-[(1-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19487715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).