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

C15H17ClN2O2 — CID 115811009

IUPAC(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)11-5-6-12(16)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOOILWTKDLKRGLL-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.49
Rot. Bonds5

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

(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 115811009) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID115811009
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)11-5-6-12(16)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3
InChIKeyOOILWTKDLKRGLL-UHFFFAOYSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641947
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810962
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(3,5-dimethyl-2-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114642302
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640154
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 115811009) is (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is OOILWTKDLKRGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-4-7-18-14(13(20-3)9-17-18)15(19)11-5-6-12(16)10(2)8-11/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 292.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).