(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone

C17H13ClN2O2 — CID 174533552

IUPAC(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-14-10-13(6-7-16(14)21)17(22)15-8-9-19-20(15)11-12-4-2-1-3-5-12/h1-10,21H,11H2
InChIKeyUKDJHBWKIYBXIC-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.52
Rot. Bonds4

About (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone

(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone (PubChem CID 174533552) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
PubChem CID174533552
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESO=C(c1ccc(O)c(Cl)c1)c1ccnn1Cc1ccccc1
InChIInChI=1S/C17H13ClN2O2/c18-14-10-13(6-7-16(14)21)17(22)15-8-9-19-20(15)11-12-4-2-1-3-5-12/h1-10,21H,11H2
InChIKeyUKDJHBWKIYBXIC-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 5862282
(3,5-Dichloro-4-hydroxyphenyl)-indazol-1-ylmethanone
CID 166063504
1-[1-[(5-Chloro-2-hydroxyphenyl)methyl]pyrazol-3-yl]-2-(2,6-difluorophenyl)ethanone
CID 58083573
2-(2,6-Difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone
CID 58083578
3-(3-Chloro-2-hydroxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 136115280
(E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 27111965
1-(3-Chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 61631889
{3-[1-(3-chloro-4-hydroxybenzoyl)piperidin-3-yl]-1H-pyrazol-1-yl}acetic acid
CID 119071896
1-(4-chlorobenzyl)-N'-(2-hydroxybenzylidene)-1H-pyrazole-3-carbohydrazide
CID 135411442
2,3-Dichloro-4-(1-ethoxymethyl-5-pyrazolylcarbonyl)phenol
CID 14622774
(2,3-Dichloro-4-methoxyphenyl)(1-benzyl-5-pyrazolyl)methanone
CID 14622791
6-Allyl-2,3-dichloro-4-(1-methyl-5-pyrazolylcarbonyl)phenol
CID 14719819

Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The IUPAC name of (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone (CID 174533552) is (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone is O=C(c1ccc(O)c(Cl)c1)c1ccnn1Cc1ccccc1.
What is the InChIKey of (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The InChIKey is UKDJHBWKIYBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-14-10-13(6-7-16(14)21)17(22)15-8-9-19-20(15)11-12-4-2-1-3-5-12/h1-10,21H,11H2.
What are the key properties of (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
(2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone has a molecular weight of 312.76 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrazol-3-yl)-(3-chloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 174533552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).