1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole

C11H11ClN2O — CID 167799715

IUPAC1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cc(Cn2cccn2)ccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-15-11-7-9(3-4-10(11)12)8-14-6-2-5-13-14/h2-7H,8H2,1H3
InChIKeyLDTLHCFSIVMPEK-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole

1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole (PubChem CID 167799715) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
PubChem CID167799715
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cc(Cn2cccn2)ccc1Cl
InChIInChI=1S/C11H11ClN2O/c1-15-11-7-9(3-4-10(11)12)8-14-6-2-5-13-14/h2-7H,8H2,1H3
InChIKeyLDTLHCFSIVMPEK-UHFFFAOYSA-N
XLogP2.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole (CID 167799715) is 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole is COc1cc(Cn2cccn2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole?
The InChIKey is LDTLHCFSIVMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-15-11-7-9(3-4-10(11)12)8-14-6-2-5-13-14/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole?
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 167799715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).