1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

C15H27N3 — CID 103887742

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCn1cc(CNCC2(C)CCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-12(10-18(5)17-13)9-16-11-15(4)7-6-8-15/h10,16H,6-9,11H2,1-5H3
InChIKeyKZZWHSWUDSWDFK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.00
Rot. Bonds4

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 103887742) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID103887742
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCn1cc(CNCC2(C)CCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-12(10-18(5)17-13)9-16-11-15(4)7-6-8-15/h10,16H,6-9,11H2,1-5H3
InChIKeyKZZWHSWUDSWDFK-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]prop-2-yn-1-amine
CID 83082202
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83083255
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 103991912
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 83082881
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 83092687
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386750
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)methanamine
CID 83083511
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83089082
3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 104688096
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 83083257
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103887705

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 103887742) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is Cn1cc(CNCC2(C)CCC2)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is KZZWHSWUDSWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)13-12(10-18(5)17-13)9-16-11-15(4)7-6-8-15/h10,16H,6-9,11H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 103887742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).