4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one

C14H23N3O — CID 79120244

IUPAC4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one
SMILESCC(C)n1ccc(CN(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)17-9-8-12(15-17)10-16(3)13-4-6-14(18)7-5-13/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFPTOXGPMSQGVSN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.41
Rot. Bonds4

About 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one

4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one (PubChem CID 79120244) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one
PubChem CID79120244
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one
SMILESCC(C)n1ccc(CN(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H23N3O/c1-11(2)17-9-8-12(15-17)10-16(3)13-4-6-14(18)7-5-13/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFPTOXGPMSQGVSN-UHFFFAOYSA-N
XLogP2.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64772048
2-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetic acid
CID 64771325
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122208
4-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclohexan-1-one
CID 79120259
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
2-[cyclopentyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773013
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanenitrile
CID 64773625
2-N-methyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 115741469
3-[cyclopropyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]propanethioamide
CID 64772003
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64771331
4-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 64773293

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one (CID 79120244) is 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one is CC(C)n1ccc(CN(C)C2CCC(=O)CC2)n1.
What is the InChIKey of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one?
The InChIKey is FPTOXGPMSQGVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-9-8-12(15-17)10-16(3)13-4-6-14(18)7-5-13/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one?
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]cyclohexan-1-one is sourced from PubChem (CID 79120244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).