1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine

C16H23N3 — CID 43749249

IUPAC1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)Cn2cccn2)c(C)c1
InChIInChI=1S/C16H23N3/c1-12-8-13(2)16(14(3)9-12)10-17-15(4)11-19-7-5-6-18-19/h5-9,15,17H,10-11H2,1-4H3
InChIKeyQSVCGVAPJNTLOO-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds5

About 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine

1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine (PubChem CID 43749249) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
PubChem CID43749249
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)Cn2cccn2)c(C)c1
InChIInChI=1S/C16H23N3/c1-12-8-13(2)16(14(3)9-12)10-17-15(4)11-19-7-5-6-18-19/h5-9,15,17H,10-11H2,1-4H3
InChIKeyQSVCGVAPJNTLOO-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-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

1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[(1-methylpyrrol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 66398766
N-[(2-methylquinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 105378336
(2R)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95282283
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 55032692
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
N-[(2-methylquinolin-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78943040
2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16793617

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine (CID 43749249) is 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine is Cc1cc(C)c(CNC(C)Cn2cccn2)c(C)c1.
What is the InChIKey of 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine?
The InChIKey is QSVCGVAPJNTLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-8-13(2)16(14(3)9-12)10-17-15(4)11-19-7-5-6-18-19/h5-9,15,17H,10-11H2,1-4H3.
What are the key properties of 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine?
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43749249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).