1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

C17H31N3 — CID 103778780

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2CCCC(C)C2)c1C
InChIInChI=1S/C17H31N3/c1-6-20-15(5)17(14(4)19-20)13(3)18-11-16-9-7-8-12(2)10-16/h12-13,16,18H,6-11H2,1-5H3
InChIKeyWNTGMIMKPGBTBX-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.00
Rot. Bonds5

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 103778780) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID103778780
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCC2CCCC(C)C2)c1C
InChIInChI=1S/C17H31N3/c1-6-20-15(5)17(14(4)19-20)13(3)18-11-16-9-7-8-12(2)10-16/h12-13,16,18H,6-11H2,1-5H3
InChIKeyWNTGMIMKPGBTBX-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 103778780) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is CCn1nc(C)c(C(C)NCC2CCCC(C)C2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is WNTGMIMKPGBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-6-20-15(5)17(14(4)19-20)13(3)18-11-16-9-7-8-12(2)10-16/h12-13,16,18H,6-11H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 277.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 103778780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).