(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

C12H10ClFN2O2 — CID 107996750

IUPAC(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H10ClFN2O2/c1-16-11(10(18-2)6-15-16)12(17)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyVWZZXSOQIJDREP-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.45
Rot. Bonds3

About (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone

(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (PubChem CID 107996750) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.68 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
PubChem CID107996750
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.68 g/mol
Exact Mass268.04
IUPAC Name(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
SMILESCOc1cnn(C)c1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C12H10ClFN2O2/c1-16-11(10(18-2)6-15-16)12(17)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3
InChIKeyVWZZXSOQIJDREP-UHFFFAOYSA-N
XLogP2.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114668105
(4-tert-butylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809508
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(5-fluoro-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114641498
(4-methoxy-1-methylpyrazol-5-yl)-(3-propoxyphenyl)methanone
CID 115809753
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(4-bromo-2-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809747
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(3-chloro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810617

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone (CID 107996750) is (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is COc1cnn(C)c1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
The InChIKey is VWZZXSOQIJDREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c1-16-11(10(18-2)6-15-16)12(17)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone?
(4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone has a molecular weight of 268.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 107996750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).