(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

C14H14Cl2N2O2 — CID 115810962

IUPAC(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3
InChIKeyIEIBDLBYOMWEPB-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.84
Rot. Bonds5

About (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone

(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (PubChem CID 115810962) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
PubChem CID115810962
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(OC)c1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3
InChIKeyIEIBDLBYOMWEPB-UHFFFAOYSA-N
XLogP3.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114640314
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114642210
(4-chloro-3-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115811009
(4-methoxy-1-propylpyrazol-5-yl)-pyridin-2-ylmethanone
CID 114638964
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 115805956
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
(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
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone (CID 115810962) is (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is CCCn1ncc(OC)c1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
The InChIKey is IEIBDLBYOMWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-3-7-18-13(11(20-2)8-17-18)14(19)12-9(15)5-4-6-10(12)16/h4-6,8H,3,7H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone?
(2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone has a molecular weight of 313.18 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 115810962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).