1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine

C18H27N3 — CID 103009511

IUPAC1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccccc1)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-3-14-19-17(10-9-16-7-5-4-6-8-16)11-12-18-13-15-20-21(18)2/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3
InChIKeyDTYKAEQSFYWMGA-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.35
Rot. Bonds9

About 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine

1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine (PubChem CID 103009511) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
PubChem CID103009511
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1ccccc1)CCc1ccnn1C
InChIInChI=1S/C18H27N3/c1-3-14-19-17(10-9-16-7-5-4-6-8-16)11-12-18-13-15-20-21(18)2/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3
InChIKeyDTYKAEQSFYWMGA-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-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

6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030428
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
4-methoxy-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103012292
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine (CID 103009511) is 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine is CCCNC(CCc1ccccc1)CCc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine?
The InChIKey is DTYKAEQSFYWMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-14-19-17(10-9-16-7-5-4-6-8-16)11-12-18-13-15-20-21(18)2/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine?
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine is sourced from PubChem (CID 103009511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).