N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C15H21N3 — CID 79484672

IUPACN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)C)cc1C
InChIInChI=1S/C15H21N3/c1-10(2)16-8-14-9-17-18-15(14)13-6-5-11(3)12(4)7-13/h5-7,9-10,16H,8H2,1-4H3,(H,17,18)
InChIKeyHZPVGPAIBLYEFB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.19
Rot. Bonds4

About N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79484672) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID79484672
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(-c2[nH]ncc2CNC(C)C)cc1C
InChIInChI=1S/C15H21N3/c1-10(2)16-8-14-9-17-18-15(14)13-6-5-11(3)12(4)7-13/h5-7,9-10,16H,8H2,1-4H3,(H,17,18)
InChIKeyHZPVGPAIBLYEFB-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]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

N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine
CID 45218220
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 42518974
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
N-[[5-(2-methyl-5-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484505
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]adamantan-1-amine
CID 4034866
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 106759036
N-[[5-(4-fluoro-3,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79484518

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 79484672) is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is Cc1ccc(-c2[nH]ncc2CNC(C)C)cc1C.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is HZPVGPAIBLYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)16-8-14-9-17-18-15(14)13-6-5-11(3)12(4)7-13/h5-7,9-10,16H,8H2,1-4H3,(H,17,18).
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79484672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).