N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine

C17H25N3 — CID 78960327

IUPACN-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(C)Cc1ccc(CNC(C)Cn2cccn2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)11-16-5-7-17(8-6-16)12-18-15(3)13-20-10-4-9-19-20/h4-10,14-15,18H,11-13H2,1-3H3
InChIKeyMHCAWIAQTRSJSZ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.26
Rot. Bonds7

About N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine

N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 78960327) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID78960327
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(C)Cc1ccc(CNC(C)Cn2cccn2)cc1
InChIInChI=1S/C17H25N3/c1-14(2)11-16-5-7-17(8-6-16)12-18-15(3)13-20-10-4-9-19-20/h4-10,14-15,18H,11-13H2,1-3H3
InChIKeyMHCAWIAQTRSJSZ-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-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

N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43791881
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine (CID 78960327) is N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine is CC(C)Cc1ccc(CNC(C)Cn2cccn2)cc1.
What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is MHCAWIAQTRSJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)11-16-5-7-17(8-6-16)12-18-15(3)13-20-10-4-9-19-20/h4-10,14-15,18H,11-13H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 78960327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).