N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C18H27N3 — CID 105188112

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-12(2)10-15-8-7-9-16(11-15)18(19-5)17-13(3)20-21(6)14(17)4/h7-9,11-12,18-19H,10H2,1-6H3
InChIKeyZUJVATOOSCRUAE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105188112) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105188112
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cccc(CC(C)C)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-12(2)10-15-8-7-9-16(11-15)18(19-5)17-13(3)20-21(6)14(17)4/h7-9,11-12,18-19H,10H2,1-6H3
InChIKeyZUJVATOOSCRUAE-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylpropyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188108
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105188038
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105050775
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 116544315
1-(3-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544023
1-(3,5-dimethyl-2-pyridinyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116545067
1-(3-chloro-5-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050891
1-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544288
(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187932
[[3-(2-methylpropyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228854

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105188112) is N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1cccc(CC(C)C)c1)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is ZUJVATOOSCRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)10-15-8-7-9-16(11-15)18(19-5)17-13(3)20-21(6)14(17)4/h7-9,11-12,18-19H,10H2,1-6H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105188112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).