(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone

C11H9ClN2O — CID 43161643

IUPAC(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C11H9ClN2O/c1-14-7-9(6-13-14)11(15)8-3-2-4-10(12)5-8/h2-7H,1H3
InChIKeyBFDZOFIPRYYVCV-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.30
Rot. Bonds2

About (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone

(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 43161643) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID43161643
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C11H9ClN2O/c1-14-7-9(6-13-14)11(15)8-3-2-4-10(12)5-8/h2-7H,1H3
InChIKeyBFDZOFIPRYYVCV-UHFFFAOYSA-N
XLogP2.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9183476
(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43805096
(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463314
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
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(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
(4-ethylsulfanylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 106847933
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-(3-chlorophenyl)methanone
CID 67637123
CID 24798848
CID 24798848
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
2,3-dihydro-1,4-benzodioxin-5-yl-(1-methylpyrazol-4-yl)methanone
CID 105082292
(3-fluoro-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 79704305

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone (CID 43161643) is (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is BFDZOFIPRYYVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-14-7-9(6-13-14)11(15)8-3-2-4-10(12)5-8/h2-7H,1H3.
What are the key properties of (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone?
(3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 220.66 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 43161643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).