1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine

C16H29N3 — CID 81031706

IUPAC1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
SMILESCCCn1cc(C2CC(CC)CCC2CNC)cn1
InChIInChI=1S/C16H29N3/c1-4-8-19-12-15(11-18-19)16-9-13(5-2)6-7-14(16)10-17-3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyVXEBVVQZLGPDGB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.42
Rot. Bonds6

About 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81031706) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81031706
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
SMILESCCCn1cc(C2CC(CC)CCC2CNC)cn1
InChIInChI=1S/C16H29N3/c1-4-8-19-12-15(11-18-19)16-9-13(5-2)6-7-14(16)10-17-3/h11-14,16-17H,4-10H2,1-3H3
InChIKeyVXEBVVQZLGPDGB-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81017644
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114667461
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773
N-methyl-1-[2-(5-methyl-3-pyridinyl)-4-propylcyclohexyl]methanamine
CID 115375691
1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114520506

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine (CID 81031706) is 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine is CCCn1cc(C2CC(CC)CCC2CNC)cn1.
What is the InChIKey of 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is VXEBVVQZLGPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-8-19-12-15(11-18-19)16-9-13(5-2)6-7-14(16)10-17-3/h11-14,16-17H,4-10H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).