5-(3-chloro-4-methoxyphenyl)-1H-pyrazole

C10H9ClN2O — CID 70299709

IUPAC5-(3-chloro-4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)cc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-10-3-2-7(6-8(10)11)9-4-5-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyGZWSEDCEDDKXDB-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.74
Rot. Bonds2

About 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole

5-(3-chloro-4-methoxyphenyl)-1H-pyrazole (PubChem CID 70299709) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-1H-pyrazole
PubChem CID70299709
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-(3-chloro-4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2ccn[nH]2)cc1Cl
InChIInChI=1S/C10H9ClN2O/c1-14-10-3-2-7(6-8(10)11)9-4-5-12-13-9/h2-6H,1H3,(H,12,13)
InChIKeyGZWSEDCEDDKXDB-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 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole (CID 70299709) is 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2ccn[nH]2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole?
The InChIKey is GZWSEDCEDDKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-14-10-3-2-7(6-8(10)11)9-4-5-12-13-9/h2-6H,1H3,(H,12,13).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole?
5-(3-chloro-4-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 5-(3-chloro-4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 70299709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).