1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine

C14H25N3 — CID 81025836

IUPAC1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCn1cc(C2CC(C)CCC2CNC)cn1
InChIInChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)14-7-11(2)5-6-12(14)8-15-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyMBMKEGUEDTYKEF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.64
Rot. Bonds4

About 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81025836) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81025836
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCCn1cc(C2CC(C)CCC2CNC)cn1
InChIInChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)14-7-11(2)5-6-12(14)8-15-3/h9-12,14-15H,4-8H2,1-3H3
InChIKeyMBMKEGUEDTYKEF-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
N-methyl-1-[4-propyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81029527
N-[[4-methyl-2-(1-methylpyrazol-4-yl)cyclohexyl]methyl]ethanamine
CID 81032019
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
N-[[2-(1-ethylpyrazol-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81017767
[2-(1-ethylpyrazol-4-yl)cyclopropyl]methanol
CID 103571107
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63243485
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
CID 81032402
N-[[2-(1-ethylpyrazol-4-yl)cycloheptyl]methyl]propan-2-amine
CID 81025706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine (CID 81025836) is 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine is CCn1cc(C2CC(C)CCC2CNC)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is MBMKEGUEDTYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)14-7-11(2)5-6-12(14)8-15-3/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).