3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

C17H25N3 — CID 104990126

IUPAC3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H25N3/c1-4-16(14-8-6-5-7-9-14)17(18)12-15-10-11-20(19-15)13(2)3/h5-11,13,16-17H,4,12,18H2,1-3H3
InChIKeyNKAWYHZPCASZIC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.53
Rot. Bonds6

About 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 104990126) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
PubChem CID104990126
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(c1ccccc1)C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H25N3/c1-4-16(14-8-6-5-7-9-14)17(18)12-15-10-11-20(19-15)13(2)3/h5-11,13,16-17H,4,12,18H2,1-3H3
InChIKeyNKAWYHZPCASZIC-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-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-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (CID 104990126) is 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is CCC(c1ccccc1)C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is NKAWYHZPCASZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-16(14-8-6-5-7-9-14)17(18)12-15-10-11-20(19-15)13(2)3/h5-11,13,16-17H,4,12,18H2,1-3H3.
What are the key properties of 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 104990126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).