3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid

C19H17N3O3 — CID 167774425

IUPAC3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
SMILESCCn1cc(C(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)cn1
InChIInChI=1S/C19H17N3O3/c1-2-22-12-16(11-20-22)18(23)21-17-8-4-6-14(10-17)13-5-3-7-15(9-13)19(24)25/h3-12H,2H2,1H3,(H,21,23)(H,24,25)
InChIKeyAWNHNFFSRDANJE-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.52
Rot. Bonds5

About 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid

3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid (PubChem CID 167774425) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid.

Molecular Properties

Compound Name3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
PubChem CID167774425
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
SMILESCCn1cc(C(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)cn1
InChIInChI=1S/C19H17N3O3/c1-2-22-12-16(11-20-22)18(23)21-17-8-4-6-14(10-17)13-5-3-7-15(9-13)19(24)25/h3-12H,2H2,1H3,(H,21,23)(H,24,25)
InChIKeyAWNHNFFSRDANJE-UHFFFAOYSA-N
XLogP3.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167980507
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
1-benzyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 9324775
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-4-carboxamide
CID 19281060
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid?
The IUPAC name of 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid (CID 167774425) is 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid.
What is the SMILES notation for 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid?
The canonical SMILES for 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid is CCn1cc(C(=O)Nc2cccc(-c3cccc(C(=O)O)c3)c2)cn1.
What is the InChIKey of 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid?
The InChIKey is AWNHNFFSRDANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-22-12-16(11-20-22)18(23)21-17-8-4-6-14(10-17)13-5-3-7-15(9-13)19(24)25/h3-12H,2H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid?
3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]benzoic acid is sourced from PubChem (CID 167774425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).