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

Analyze 4-methyl-2-(3-phenylpropyl)-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

Related Compounds

2-(4-phenylbutyl)-3,4-dihydropyrazol-5-amine
CID 15916618
6-methyl-1-(3-phenylpropyl)piperidin-3-amine
CID 61238461
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
[4-methyl-1-(3-phenylpropyl)piperazin-2-yl]methanamine
CID 80504597
2,3-dimethyl-1-(3-phenylpropyl)piperidin-4-amine
CID 79397057
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
CID 118550630
5-[(2S,5S)-5-methyl-4-(3-phenylpropyl)morpholin-2-yl]pyridin-2-amine
CID 11529694
8-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 97094551
triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
CID 21024249
4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 55167339
3-methyl-1-(3-phenylpropyl)-1,2,4-triazole
CID 58258708
butylbenzene;hydroxylamine
CID 175142403

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).