1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C18H27N3 — CID 105188038

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCCc1cc(C(NC)c2cccc(CC(C)C)c2)n(C)n1
InChIInChI=1S/C18H27N3/c1-6-16-12-17(21(5)20-16)18(19-4)15-9-7-8-14(11-15)10-13(2)3/h7-9,11-13,18-19H,6,10H2,1-5H3
InChIKeyPPJLNUVMKFJEJR-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.49
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 105188038) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID105188038
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCCc1cc(C(NC)c2cccc(CC(C)C)c2)n(C)n1
InChIInChI=1S/C18H27N3/c1-6-16-12-17(21(5)20-16)18(19-4)15-9-7-8-14(11-15)10-13(2)3/h7-9,11-13,18-19H,6,10H2,1-5H3
InChIKeyPPJLNUVMKFJEJR-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105188112
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
1-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142912
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
1-(3-ethylphenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901688
1-(1,3-diethylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 105090473
(3-ethyl-1-methylpyrazol-5-yl)-(3-propylphenyl)methanamine
CID 105187884
[(3-ethyl-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105283558
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105180100
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 116544315
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 105188038) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CCc1cc(C(NC)c2cccc(CC(C)C)c2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is PPJLNUVMKFJEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-16-12-17(21(5)20-16)18(19-4)15-9-7-8-14(11-15)10-13(2)3/h7-9,11-13,18-19H,6,10H2,1-5H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 285.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 105188038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).