3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

C13H10N4O2 — CID 115003623

IUPAC3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3cccn3)cc2)n[nH]1
InChIInChI=1S/C13H10N4O2/c18-13(19)12-8-11(15-16-12)9-2-4-10(5-3-9)17-7-1-6-14-17/h1-8H,(H,15,16)(H,18,19)
InChIKeyUJICGECCRGMUDU-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.96
Rot. Bonds3

About 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 115003623) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID115003623
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-n3cccn3)cc2)n[nH]1
InChIInChI=1S/C13H10N4O2/c18-13(19)12-8-11(15-16-12)9-2-4-10(5-3-9)17-7-1-6-14-17/h1-8H,(H,15,16)(H,18,19)
InChIKeyUJICGECCRGMUDU-UHFFFAOYSA-N
XLogP1.96
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117466352
3-(3,4-dichlorophenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 19515586
3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
3-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117478941
ethane;3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 143757787
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-[4-(2,2-difluoropropyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117419278
3-(2H-benzotriazol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117329834
3-[4-(1-methylazetidin-3-yl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117396305
3-[4-(2,2-difluoroethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117383204
3-[4-(1,2-dihydroxyethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117373000
3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid (CID 115003623) is 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccc(-n3cccn3)cc2)n[nH]1.
What is the InChIKey of 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is UJICGECCRGMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)12-8-11(15-16-12)9-2-4-10(5-3-9)17-7-1-6-14-17/h1-8H,(H,15,16)(H,18,19).
What are the key properties of 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 115003623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).