3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

C15H14N4O2 — CID 664981

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyOPVDRIOAZSEKCF-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.58
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 664981) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID664981
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21)
InChIKeyOPVDRIOAZSEKCF-UHFFFAOYSA-N
XLogP2.58
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 664981) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is OPVDRIOAZSEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-14(12-8-13(15(20)21)17-16-12)10(2)19(18-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 664981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).