(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone

C18H15ClN2O3 — CID 170871696

IUPAC(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
SMILESCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-8-4-12(5-9-16)17-14(11-22)10-21(20-17)18(23)13-2-6-15(19)7-3-13/h2-10,22H,11H2,1H3
InChIKeyPLXUTBPTDBYCFT-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.39
Rot. Bonds4

About (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone

(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone (PubChem CID 170871696) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
PubChem CID170871696
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone
SMILESCOc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3)cc2CO)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-8-4-12(5-9-16)17-14(11-22)10-21(20-17)18(23)13-2-6-15(19)7-3-13/h2-10,22H,11H2,1H3
InChIKeyPLXUTBPTDBYCFT-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
1-(4-chlorophenyl)-2-[4-(4-methoxyphenyl)triazol-1-yl]ethanone
CID 53321268
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
(4-methoxyphenyl)-(1,2,4-triazol-1-yl)methanone
CID 694174
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-[1-(4-carboxyphenyl)-4-[(4-methoxyanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808884
2-(4-chlorobenzoyl)-3-ethyl-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 34883505

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone (CID 170871696) is (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone is COc1ccc(-c2nn(C(=O)c3ccc(Cl)cc3)cc2CO)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone?
The InChIKey is PLXUTBPTDBYCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-16-8-4-12(5-9-16)17-14(11-22)10-21(20-17)18(23)13-2-6-15(19)7-3-13/h2-10,22H,11H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone?
(4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone has a molecular weight of 342.78 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 170871696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).