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

C11H11ClN2O — CID 70976754

IUPAC5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nccc2Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3
InChIKeyUCURUBOWDLGERR-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.59
Rot. Bonds3

About 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole

5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole (PubChem CID 70976754) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole
PubChem CID70976754
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole
SMILESCOc1ccc(Cn2nccc2Cl)cc1
InChIInChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3
InChIKeyUCURUBOWDLGERR-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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Related Compounds

1-(4-methoxybenzyl)-1H-pyrazol-3-amine
CID 17972321
1-((4-methoxyphenyl)methyl)-1H-pyrazol-5-amine
CID 3161262
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
1-(4-Hydroxybenzyl)pyrazole
CID 133412
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
4-ethylphenyl 2-(1H-pyrazol-1-yl)ethyl ether
CID 3414162
4-[(Z)-2-(4-Methoxyphenyl)-2-nitro-1-ethenyl]-1-methyl-1H-pyrazole
CID 145916478
4-Methoxy-3-pyrazol-1-ylmethyl-benzylamine
CID 3157815
3-(4-Butoxyphenyl)-1-methylpyrazole
CID 11229979
1-(4-Methoxy-benzyl)-3-methyl-1h-pyrazole
CID 21628284
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
4-iodo-1-[(4-methoxyphenyl)methyl]-1H-pyrazole
CID 57421936

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole (CID 70976754) is 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole is COc1ccc(Cn2nccc2Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole?
The InChIKey is UCURUBOWDLGERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-15-10-4-2-9(3-5-10)8-14-11(12)6-7-13-14/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole?
5-chloro-1-[(4-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 5-chloro-1-[(4-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 70976754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).