1-[4-(chloromethyl)phenyl]pyrazole

C10H9ClN2 — CID 7130887

IUPAC1-[4-(chloromethyl)phenyl]pyrazole
SMILESClCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
InChIKeyPAINSRDHMRYAGK-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.61
Rot. Bonds2

About 1-[4-(chloromethyl)phenyl]pyrazole

1-[4-(chloromethyl)phenyl]pyrazole (PubChem CID 7130887) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]pyrazole
PubChem CID7130887
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-[4-(chloromethyl)phenyl]pyrazole
SMILESClCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
InChIKeyPAINSRDHMRYAGK-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(chloromethyl)phenyl]pyrazole (CID 7130887) is 1-[4-(chloromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]pyrazole is ClCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]pyrazole?
The InChIKey is PAINSRDHMRYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2.
What are the key properties of 1-[4-(chloromethyl)phenyl]pyrazole?
1-[4-(chloromethyl)phenyl]pyrazole has a molecular weight of 192.65 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]pyrazole is sourced from PubChem (CID 7130887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).