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

C13H13ClN2O2 — CID 887689

IUPAC(5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C13H13ClN2O2/c1-8-6-9(2)16(15-8)13(17)11-7-10(14)4-5-12(11)18-3/h4-7H,1-3H3
InChIKeySFZWOUXDDKBQBX-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.85
Rot. Bonds2

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

(5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 887689) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID887689
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C13H13ClN2O2/c1-8-6-9(2)16(15-8)13(17)11-7-10(14)4-5-12(11)18-3/h4-7H,1-3H3
InChIKeySFZWOUXDDKBQBX-UHFFFAOYSA-N
XLogP2.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 887689) is (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is COc1ccc(Cl)cc1C(=O)n1nc(C)cc1C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is SFZWOUXDDKBQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-6-9(2)16(15-8)13(17)11-7-10(14)4-5-12(11)18-3/h4-7H,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 264.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 887689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).