2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

C18H27N3 — CID 66440653

IUPAC2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(-n2ncc(CNC(C)(C)C)c2C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)17-15(11-19-18(4,5)6)12-20-21(17)16-9-7-14(3)8-10-16/h7-10,12-13,19H,11H2,1-6H3
InChIKeyDXBNOXZRMQEFNL-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.19
Rot. Bonds4

About 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66440653) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66440653
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(-n2ncc(CNC(C)(C)C)c2C(C)C)cc1
InChIInChI=1S/C18H27N3/c1-13(2)17-15(11-19-18(4,5)6)12-20-21(17)16-9-7-14(3)8-10-16/h7-10,12-13,19H,11H2,1-6H3
InChIKeyDXBNOXZRMQEFNL-UHFFFAOYSA-N
XLogP4.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
2-methyl-N-[(5-propan-2-yl-1-pyridazin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 103294541
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66441573
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441353
2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66442365
N-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441251
N-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441063
4-(bromomethyl)-1-(4-bromophenyl)-5-propan-2-ylpyrazole
CID 66436646
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66441609
N-[[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79149914
N-[[1-(2,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (CID 66440653) is 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is Cc1ccc(-n2ncc(CNC(C)(C)C)c2C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is DXBNOXZRMQEFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)17-15(11-19-18(4,5)6)12-20-21(17)16-9-7-14(3)8-10-16/h7-10,12-13,19H,11H2,1-6H3.
What are the key properties of 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66440653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).