4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine

C13H19N3 — CID 83232450

IUPAC4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
SMILESCC1CN(CCCc2ccccc2)N=C1N
InChIInChI=1S/C13H19N3/c1-11-10-16(15-13(11)14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15)
InChIKeyWCNMQLCXCDNIMR-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.84
Rot. Bonds4

About 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine

4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine (PubChem CID 83232450) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
PubChem CID83232450
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine
SMILESCC1CN(CCCc2ccccc2)N=C1N
InChIInChI=1S/C13H19N3/c1-11-10-16(15-13(11)14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15)
InChIKeyWCNMQLCXCDNIMR-UHFFFAOYSA-N
XLogP1.84
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine (CID 83232450) is 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine is CC1CN(CCCc2ccccc2)N=C1N.
What is the InChIKey of 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is WCNMQLCXCDNIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-10-16(15-13(11)14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H2,14,15).
What are the key properties of 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine?
4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpropyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 83232450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).