4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one

C13H21N3O — CID 103002707

IUPAC4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one
SMILESCN(CCc1ccnn1C)C1CCC(=O)CC1
InChIInChI=1S/C13H21N3O/c1-15(11-3-5-13(17)6-4-11)10-8-12-7-9-14-16(12)2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMXWBNFJTMLKEIJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one

4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one (PubChem CID 103002707) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one
PubChem CID103002707
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one
SMILESCN(CCc1ccnn1C)C1CCC(=O)CC1
InChIInChI=1S/C13H21N3O/c1-15(11-3-5-13(17)6-4-11)10-8-12-7-9-14-16(12)2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyMXWBNFJTMLKEIJ-UHFFFAOYSA-N
XLogP1.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
CID 117039757
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126917536
N-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 103005268
2-[cyclopentyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004720
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-amine
CID 126922943
2-[cyclohexyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014031
N-(2-bromoethyl)-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 103015253
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]ethanol
CID 103014026
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one (CID 103002707) is 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one is CN(CCc1ccnn1C)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one?
The InChIKey is MXWBNFJTMLKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(11-3-5-13(17)6-4-11)10-8-12-7-9-14-16(12)2/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one?
4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]cyclohexan-1-one is sourced from PubChem (CID 103002707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).