3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid

C19H18N2O2 — CID 117491617

IUPAC3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-12(2)15-9-8-14(17-11-18(19(22)23)21-20-17)10-16(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)(H,22,23)
InChIKeyWREDZNVATBYCEF-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.57
Rot. Bonds4

About 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117491617) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117491617
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-12(2)15-9-8-14(17-11-18(19(22)23)21-20-17)10-16(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)(H,22,23)
InChIKeyWREDZNVATBYCEF-UHFFFAOYSA-N
XLogP4.57
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methyl-3-phenylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117446021
3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid;ethane
CID 143798874
3-[3-(difluoromethyl)-4-methylphenyl]-1H-pyrazole-5-carboxylic acid
CID 117383202
3-[2-(1-methoxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111272
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-[3-(2-methoxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111283
3-(3-hydroxy-4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117310670
2-(4-methylphenyl)-4-phenyl-1-propan-2-ylbenzene
CID 163504482
3-[4-(2-hydroxypropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117367670
3-(3-methylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419417
3-[3-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111313
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 117491617) is 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is CC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1-c1ccccc1.
What is the InChIKey of 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is WREDZNVATBYCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(2)15-9-8-14(17-11-18(19(22)23)21-20-17)10-16(15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117491617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).