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

C12H16ClN3 — CID 13309527

IUPAC2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine
SMILESCCCC1CC(N)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3/c1-2-3-11-8-12(14)15-16(11)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H2,14,15)
InChIKeyOYMOFFIIGSYWFQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.99
Rot. Bonds3

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

2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine (PubChem CID 13309527) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine
PubChem CID13309527
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine
SMILESCCCC1CC(N)=NN1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3/c1-2-3-11-8-12(14)15-16(11)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H2,14,15)
InChIKeyOYMOFFIIGSYWFQ-UHFFFAOYSA-N
XLogP2.99
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine (CID 13309527) is 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine is CCCC1CC(N)=NN1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine?
The InChIKey is OYMOFFIIGSYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-2-3-11-8-12(14)15-16(11)10-6-4-9(13)5-7-10/h4-7,11H,2-3,8H2,1H3,(H2,14,15).
What are the key properties of 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine?
2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine has a molecular weight of 237.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-propyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 13309527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).