1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C15H21N3 — CID 114994095

IUPAC1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccn[nH]1
InChIInChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16-4)13-9-10-17-18-13/h5-10,14,16H,1-4H3,(H,17,18)
InChIKeyGGTGVINAZPGUBW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.02
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 114994095) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID114994095
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccn[nH]1
InChIInChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16-4)13-9-10-17-18-13/h5-10,14,16H,1-4H3,(H,17,18)
InChIKeyGGTGVINAZPGUBW-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine 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

5-[(4-tert-butylphenyl)-chloromethyl]-1H-pyrazole
CID 114992463
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 82237939
N-[(4-methylphenyl)-(1H-pyrazol-5-yl)methyl]ethanamine
CID 82239726
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(4-tert-butylphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105140419
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841861
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484428
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 114994095) is 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is CNC(c1ccc(C(C)(C)C)cc1)c1ccn[nH]1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is GGTGVINAZPGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)12-7-5-11(6-8-12)14(16-4)13-9-10-17-18-13/h5-10,14,16H,1-4H3,(H,17,18).
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 114994095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).