N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

C15H27N3O2 — CID 114661820

IUPACN-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1(OC)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-5-16-14(13-12(19-3)11-17-18(13)2)15(20-4)9-7-6-8-10-15/h11,14,16H,5-10H2,1-4H3
InChIKeyZEGVWFSYPRFWJK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.43
Rot. Bonds6

About N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114661820) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID114661820
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1(OC)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-5-16-14(13-12(19-3)11-17-18(13)2)15(20-4)9-7-6-8-10-15/h11,14,16H,5-10H2,1-4H3
InChIKeyZEGVWFSYPRFWJK-UHFFFAOYSA-N
XLogP2.43
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661923
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
N,N-diethyl-1-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclopentan-1-amine
CID 105242695
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
2-[4-chloro-5-[ethylamino-(1-methoxycyclobutyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114660941
3-cyclopentyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105047094

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (CID 114661820) is N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1c(OC)cnn1C)C1(OC)CCCCC1.
What is the InChIKey of N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is ZEGVWFSYPRFWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-16-14(13-12(19-3)11-17-18(13)2)15(20-4)9-7-6-8-10-15/h11,14,16H,5-10H2,1-4H3.
What are the key properties of N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114661820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).