4-(4-chloro-3-methoxyphenyl)-1H-pyrazole

C10H9ClN2O — CID 155293604

IUPAC4-(4-chloro-3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-10-4-7(2-3-9(10)11)8-5-12-13-6-8/h2-6H,1H3,(H,12,13)
InChIKeyWODQJWDEFYSXJY-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.74
Rot. Bonds2

About 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole

4-(4-chloro-3-methoxyphenyl)-1H-pyrazole (PubChem CID 155293604) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-1H-pyrazole
PubChem CID155293604
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name4-(4-chloro-3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cc(-c2cn[nH]c2)ccc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-10-4-7(2-3-9(10)11)8-5-12-13-6-8/h2-6H,1H3,(H,12,13)
InChIKeyWODQJWDEFYSXJY-UHFFFAOYSA-N
XLogP2.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole (CID 155293604) is 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole is COc1cc(-c2cn[nH]c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole?
The InChIKey is WODQJWDEFYSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-10-4-7(2-3-9(10)11)8-5-12-13-6-8/h2-6H,1H3,(H,12,13).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole?
4-(4-chloro-3-methoxyphenyl)-1H-pyrazole has a molecular weight of 208.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 155293604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).