(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

C13H12Cl2N2O2 — CID 768297

IUPAC(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C13H12Cl2N2O2/c1-7-4-8(2)17(16-7)13(18)10-5-9(14)6-11(15)12(10)19-3/h4-6H,1-3H3
InChIKeyCLSRDTWIENRSRN-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.50
Rot. Bonds2

About (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 768297) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID768297
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C13H12Cl2N2O2/c1-7-4-8(2)17(16-7)13(18)10-5-9(14)6-11(15)12(10)19-3/h4-6H,1-3H3
InChIKeyCLSRDTWIENRSRN-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689
(3,5-Dimethylpyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 754113
Methanone, (4-bromo-3,5-dimethyl-1-pyrazolyl)(5-chloro-2-methoxyphenyl)-
CID 598209
3,5-dichloro-2-methoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzamide
CID 692931
5-chloro-2-methoxy-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzamide
CID 1223413
5-chloro-2-methoxy-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
CID 19295766
5-chloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methoxybenzamide
CID 19326123
5-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxybenzamide
CID 75403853
(5-chloro-2-methoxyphenyl)(1H-pyrazol-1-yl)methanone
CID 896325
(5-chloro-2-methoxyphenyl)(4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1,4-diazepan-1-yl)methanone hydrochloride
CID 71790585
(5-Chloro-2-methoxyphenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone
CID 71790586

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 768297) is (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is COc1c(Cl)cc(Cl)cc1C(=O)n1nc(C)cc1C.
What is the InChIKey of (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is CLSRDTWIENRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c1-7-4-8(2)17(16-7)13(18)10-5-9(14)6-11(15)12(10)19-3/h4-6H,1-3H3.
What are the key properties of (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 299.16 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 768297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).