N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine

C17H24ClN3 — CID 63278706

IUPACN-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H24ClN3/c1-17(2,3)19-9-5-7-15-11-20-21(13-15)12-14-6-4-8-16(18)10-14/h4,6,8,10-11,13,19H,5,7,9,12H2,1-3H3
InChIKeyOOLPWBPLYBNCFG-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.91
Rot. Bonds6

About N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine

N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine (PubChem CID 63278706) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
PubChem CID63278706
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCCc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H24ClN3/c1-17(2,3)19-9-5-7-15-11-20-21(13-15)12-14-6-4-8-16(18)10-14/h4,6,8,10-11,13,19H,5,7,9,12H2,1-3H3
InChIKeyOOLPWBPLYBNCFG-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-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

3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 63278667
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62732126
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965
1-[(3-chlorophenyl)methyl]pyrazol-4-amine
CID 7017127
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62719146
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-ethylthiourea
CID 19344162
N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62730672
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine (CID 63278706) is N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCCc1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
The InChIKey is OOLPWBPLYBNCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-17(2,3)19-9-5-7-15-11-20-21(13-15)12-14-6-4-8-16(18)10-14/h4,6,8,10-11,13,19H,5,7,9,12H2,1-3H3.
What are the key properties of N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine?
N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63278706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).