1-(2-chlorophenyl)pyrazol-4-amine

C9H8ClN3 — CID 43531693

IUPAC1-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C9H8ClN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2
InChIKeyKXMOIUPAAPMSMN-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.11
Rot. Bonds1

About 1-(2-chlorophenyl)pyrazol-4-amine

1-(2-chlorophenyl)pyrazol-4-amine (PubChem CID 43531693) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)pyrazol-4-amine
PubChem CID43531693
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name1-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C9H8ClN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2
InChIKeyKXMOIUPAAPMSMN-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-chlorophenyl)pyrazol-4-amine (CID 43531693) is 1-(2-chlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)pyrazol-4-amine is Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)pyrazol-4-amine?
The InChIKey is KXMOIUPAAPMSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-8-3-1-2-4-9(8)13-6-7(11)5-12-13/h1-6H,11H2.
What are the key properties of 1-(2-chlorophenyl)pyrazol-4-amine?
1-(2-chlorophenyl)pyrazol-4-amine has a molecular weight of 193.64 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 43531693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).