1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine

C12H12ClN3 — CID 82082963

IUPAC1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine
SMILESNc1cc(C2CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C12H12ClN3/c13-9-3-1-2-4-11(9)16-12(14)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6,14H2
InChIKeyFOXQNXQZUIWZBF-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine

1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine (PubChem CID 82082963) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine
PubChem CID82082963
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine
SMILESNc1cc(C2CC2)nn1-c1ccccc1Cl
InChIInChI=1S/C12H12ClN3/c13-9-3-1-2-4-11(9)16-12(14)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6,14H2
InChIKeyFOXQNXQZUIWZBF-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine (CID 82082963) is 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine is Nc1cc(C2CC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine?
The InChIKey is FOXQNXQZUIWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-9-3-1-2-4-11(9)16-12(14)7-10(15-16)8-5-6-8/h1-4,7-8H,5-6,14H2.
What are the key properties of 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine?
1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine has a molecular weight of 233.70 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-cyclopropylpyrazol-5-amine is sourced from PubChem (CID 82082963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).