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

C14H14ClFN2O2 — CID 114640314

IUPAC(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)9-5-4-6-10(15)12(9)16/h4-6,8H,3,7H2,1-2H3
InChIKeyMSFQYMRXYKNEBQ-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.33
Rot. Bonds5

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

(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 114640314) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID114640314
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)9-5-4-6-10(15)12(9)16/h4-6,8H,3,7H2,1-2H3
InChIKeyMSFQYMRXYKNEBQ-UHFFFAOYSA-N
XLogP3.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114642210
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
(3-fluoro-4-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641960
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
1-benzothiophen-3-yl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811046
(4-bromo-1-propylpyrazol-5-yl)-(2-chlorophenyl)methanone
CID 114639691

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 114640314) is (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is MSFQYMRXYKNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)9-5-4-6-10(15)12(9)16/h4-6,8H,3,7H2,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 296.73 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114640314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).