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

C19H18N2O3 — CID 94962278

IUPAC1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)
InChIKeyUKGNVPWMQUQOGC-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.02
Rot. Bonds5

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

1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 94962278) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
PubChem CID94962278
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid
SMILESCC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23)
InChIKeyUKGNVPWMQUQOGC-UHFFFAOYSA-N
XLogP4.02
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid (CID 94962278) is 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid is CC(C)Oc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is UKGNVPWMQUQOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(2)24-16-10-8-14(9-11-16)18-12-17(19(22)23)20-21(18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,23).
What are the key properties of 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid?
1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-propan-2-yloxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 94962278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).