2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine

C9H10ClN3 — CID 15580668

IUPAC2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyBBHIPBFRTBIKAC-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.82
Rot. Bonds1

About 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine

2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 15580668) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine
PubChem CID15580668
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12)
InChIKeyBBHIPBFRTBIKAC-UHFFFAOYSA-N
XLogP1.82
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine (CID 15580668) is 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine is NC1=NN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is BBHIPBFRTBIKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12-13/h1-3,6H,4-5H2,(H2,11,12).
What are the key properties of 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine?
2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 195.65 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 15580668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).