2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

C15H16ClFN2O2 — CID 114642210

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFN2O2/c1-3-7-19-15(13(21-2)9-18-19)12(20)8-10-5-4-6-11(16)14(10)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeyKQDMJWDNGZYRKD-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.52
Rot. Bonds6

About 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (PubChem CID 114642210) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
PubChem CID114642210
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(OC)c1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFN2O2/c1-3-7-19-15(13(21-2)9-18-19)12(20)8-10-5-4-6-11(16)14(10)17/h4-6,9H,3,7-8H2,1-2H3
InChIKeyKQDMJWDNGZYRKD-UHFFFAOYSA-N
XLogP3.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114639487
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
2-(tert-butylamino)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114670106
4-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 105133556
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone (CID 114642210) is 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(OC)c1C(=O)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
The InChIKey is KQDMJWDNGZYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-3-7-19-15(13(21-2)9-18-19)12(20)8-10-5-4-6-11(16)14(10)17/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone has a molecular weight of 310.76 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114642210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).