[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone

C15H25N3O — CID 79074193

IUPAC[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-4-18-13(9-12-16-18)14(19)15(17(2)3)10-7-5-6-8-11-15/h9,12H,4-8,10-11H2,1-3H3
InChIKeySWTVJOPJPKCEBL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.74
Rot. Bonds4

About [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone

[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 79074193) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID79074193
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-4-18-13(9-12-16-18)14(19)15(17(2)3)10-7-5-6-8-11-15/h9,12H,4-8,10-11H2,1-3H3
InChIKeySWTVJOPJPKCEBL-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 116578933
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
CID 116567524
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
CID 114685998
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone (CID 79074193) is [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)C1(N(C)C)CCCCCC1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is SWTVJOPJPKCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18-13(9-12-16-18)14(19)15(17(2)3)10-7-5-6-8-11-15/h9,12H,4-8,10-11H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone?
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 79074193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).