3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine

C17H25N3 — CID 106209318

IUPAC3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C17H25N3/c1-13(15-11-18-19-12-15)20-16(10-17(2,3)4)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3,(H,18,19)
InChIKeyPSPRKXOMNUOOFA-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.24
Rot. Bonds5

About 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine

3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine (PubChem CID 106209318) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
PubChem CID106209318
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)c1cn[nH]c1
InChIInChI=1S/C17H25N3/c1-13(15-11-18-19-12-15)20-16(10-17(2,3)4)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3,(H,18,19)
InChIKeyPSPRKXOMNUOOFA-UHFFFAOYSA-N
XLogP4.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-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

N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazol-4-amine
CID 43776931
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971551
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
1-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-1-amine
CID 103949479
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
3-methyl-3-phenyl-N,N'-bis[1-(1H-pyrazol-4-yl)ethyl]pentanediamide
CID 166185847
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine (CID 106209318) is 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine is CC(NC(CC(C)(C)C)c1ccccc1)c1cn[nH]c1.
What is the InChIKey of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine?
The InChIKey is PSPRKXOMNUOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-13(15-11-18-19-12-15)20-16(10-17(2,3)4)14-8-6-5-7-9-14/h5-9,11-13,16,20H,10H2,1-4H3,(H,18,19).
What are the key properties of 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine?
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106209318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).