1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

C15H27N3O — CID 116767747

IUPAC1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2(OC)CCCC(C)C2)cn1
InChIInChI=1S/C15H27N3O/c1-5-18-11-13(10-17-18)14(16-3)15(19-4)8-6-7-12(2)9-15/h10-12,14,16H,5-9H2,1-4H3
InChIKeyYHFCGFMGKQOCQP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116767747) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID116767747
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2(OC)CCCC(C)C2)cn1
InChIInChI=1S/C15H27N3O/c1-5-18-11-13(10-17-18)14(16-3)15(19-4)8-6-7-12(2)9-15/h10-12,14,16H,5-9H2,1-4H3
InChIKeyYHFCGFMGKQOCQP-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-methoxy-3-methylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105277458
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 116766518
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
1-(4-chloro-1-propylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 114661992
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 116767803
1-(1-ethylcyclopentyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 115816143
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
[(1-methoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105268662

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 116767747) is 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is CCn1cc(C(NC)C2(OC)CCCC(C)C2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is YHFCGFMGKQOCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-18-11-13(10-17-18)14(16-3)15(19-4)8-6-7-12(2)9-15/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116767747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).