5-chloro-4-methoxy-1-phenylpyrazole

C10H9ClN2O — CID 117232898

IUPAC5-chloro-4-methoxy-1-phenylpyrazole
SMILESCOc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-9-7-12-13(10(9)11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyAEZDTEJGLIHEDZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.53
Rot. Bonds2

About 5-chloro-4-methoxy-1-phenylpyrazole

5-chloro-4-methoxy-1-phenylpyrazole (PubChem CID 117232898) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-4-methoxy-1-phenylpyrazole.

Molecular Properties

Compound Name5-chloro-4-methoxy-1-phenylpyrazole
PubChem CID117232898
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-4-methoxy-1-phenylpyrazole
SMILESCOc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-9-7-12-13(10(9)11)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyAEZDTEJGLIHEDZ-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
CID 117233278
1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
CID 117233068
5-chloro-1-phenylpyrazol-4-ol
CID 117232897
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
3-(5-chloro-4-phenylmethoxypyrazol-1-yl)pyridine
CID 117232501
5-chloro-4-nitro-1-phenylpyrazole
CID 105481380
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
5-methoxy-1-phenylpyrazole-4-carbaldehyde
CID 131583769
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-1-phenylpyrazole?
The IUPAC name of 5-chloro-4-methoxy-1-phenylpyrazole (CID 117232898) is 5-chloro-4-methoxy-1-phenylpyrazole.
What is the SMILES notation for 5-chloro-4-methoxy-1-phenylpyrazole?
The canonical SMILES for 5-chloro-4-methoxy-1-phenylpyrazole is COc1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-1-phenylpyrazole?
The InChIKey is AEZDTEJGLIHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-9-7-12-13(10(9)11)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-chloro-4-methoxy-1-phenylpyrazole?
5-chloro-4-methoxy-1-phenylpyrazole has a molecular weight of 208.65 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-1-phenylpyrazole is sourced from PubChem (CID 117232898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).