1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid

C20H21N3O3 — CID 175080965

IUPAC1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
SMILESCCC(=O)O.Cc1ccc(-n2cc(C(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O.C3H6O2/c1-12-7-9-14(10-8-12)20-11-15(17(18)21)16(19-20)13-5-3-2-4-6-13;1-2-3(4)5/h2-11H,1H3,(H2,18,21);2H2,1H3,(H,4,5)
InChIKeyZTVVNDOMVRLVKY-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid

1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid (PubChem CID 175080965) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
PubChem CID175080965
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
SMILESCCC(=O)O.Cc1ccc(-n2cc(C(N)=O)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H15N3O.C3H6O2/c1-12-7-9-14(10-8-12)20-11-15(17(18)21)16(19-20)13-5-3-2-4-6-13;1-2-3(4)5/h2-11H,1H3,(H2,18,21);2H2,1H3,(H,4,5)
InChIKeyZTVVNDOMVRLVKY-UHFFFAOYSA-N
XLogP3.43
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylate
CID 18130445
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
1-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-3-phenylpyrazole-4-carboxylic acid
CID 56714980
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid?
The IUPAC name of 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid (CID 175080965) is 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid.
What is the SMILES notation for 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid?
The canonical SMILES for 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid is CCC(=O)O.Cc1ccc(-n2cc(C(N)=O)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid?
The InChIKey is ZTVVNDOMVRLVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.C3H6O2/c1-12-7-9-14(10-8-12)20-11-15(17(18)21)16(19-20)13-5-3-2-4-6-13;1-2-3(4)5/h2-11H,1H3,(H2,18,21);2H2,1H3,(H,4,5).
What are the key properties of 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid?
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid has a molecular weight of 351.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid is sourced from PubChem (CID 175080965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).