5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid

C11H10N2O3 — CID 115093007

IUPAC5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(O)c2)[nH]n1
InChIInChI=1S/C11H10N2O3/c14-9-3-1-2-7(5-9)4-8-6-10(11(15)16)13-12-8/h1-3,5-6,14H,4H2,(H,12,13)(H,15,16)
InChIKeyULIPFKNAUWZFMZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.40
Rot. Bonds3

About 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid

5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 115093007) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID115093007
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccc(O)c2)[nH]n1
InChIInChI=1S/C11H10N2O3/c14-9-3-1-2-7(5-9)4-8-6-10(11(15)16)13-12-8/h1-3,5-6,14H,4H2,(H,12,13)(H,15,16)
InChIKeyULIPFKNAUWZFMZ-UHFFFAOYSA-N
XLogP1.40
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 91248894
5-[(2-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093063
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
5-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxylic acid
CID 115093049
5-(2-aminoethyl)-1H-pyrazole-3-carboxylic acid
CID 58810628
5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 124730536
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
CID 117215982
benzoic acid;3-(1H-tetrazol-4-ium-5-ylmethyl)phenol;chloride
CID 174444914
5-(ethylsulfonylmethyl)-1H-pyrazole-3-carboxylic acid
CID 58810610
1-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]ethanone
CID 115093128

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid (CID 115093007) is 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(Cc2cccc(O)c2)[nH]n1.
What is the InChIKey of 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is ULIPFKNAUWZFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-9-3-1-2-7(5-9)4-8-6-10(11(15)16)13-12-8/h1-3,5-6,14H,4H2,(H,12,13)(H,15,16).
What are the key properties of 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid?
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 115093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).