1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

C18H27N3 — CID 115808315

IUPAC1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C18H27N3/c1-6-11-21-13-14(12-20-21)17(19-5)15-9-7-8-10-16(15)18(2,3)4/h7-10,12-13,17,19H,6,11H2,1-5H3
InChIKeyWKXLAYOBSZFPGT-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine

1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115808315) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID115808315
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccccc2C(C)(C)C)cn1
InChIInChI=1S/C18H27N3/c1-6-11-21-13-14(12-20-21)17(19-5)15-9-7-8-10-16(15)18(2,3)4/h7-10,12-13,17,19H,6,11H2,1-5H3
InChIKeyWKXLAYOBSZFPGT-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-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

1-(2-tert-butylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809298
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808196
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 103572490
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 104805056
N-[(2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 55181521
N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine (CID 115808315) is 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2ccccc2C(C)(C)C)cn1.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is WKXLAYOBSZFPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-11-21-13-14(12-20-21)17(19-5)15-9-7-8-10-16(15)18(2,3)4/h7-10,12-13,17,19H,6,11H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine?
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115808315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).