[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone

C13H21N3O — CID 79066934

IUPAC[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C)C1(C(=O)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-15(2)13(7-5-4-6-8-13)12(17)11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3
InChIKeyMKJHYXNOEXWWIC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.87
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone

[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 79066934) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
PubChem CID79066934
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
SMILESCN(C)C1(C(=O)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C13H21N3O/c1-15(2)13(7-5-4-6-8-13)12(17)11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3
InChIKeyMKJHYXNOEXWWIC-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone (CID 79066934) is [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone is CN(C)C1(C(=O)c2cnn(C)c2)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is MKJHYXNOEXWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)13(7-5-4-6-8-13)12(17)11-9-14-16(3)10-11/h9-10H,4-8H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone?
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 79066934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).