(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone

C14H22N2O2 — CID 116750647

IUPAC(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
SMILESCCn1nccc1C(=O)C1(OC)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-16-12(8-11-15-16)13(17)14(18-2)9-6-4-5-7-10-14/h8,11H,3-7,9-10H2,1-2H3
InChIKeyDICUKFDLRFEHSC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.83
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone

(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone (PubChem CID 116750647) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
PubChem CID116750647
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
SMILESCCn1nccc1C(=O)C1(OC)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-16-12(8-11-15-16)13(17)14(18-2)9-6-4-5-7-10-14/h8,11H,3-7,9-10H2,1-2H3
InChIKeyDICUKFDLRFEHSC-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanone
CID 116748199
(1-methoxycyclopentyl)-(2-propylpyrazol-3-yl)methanone
CID 104610116
(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330230
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-ethylimidazol-2-yl)-(1-methoxycyclopentyl)methanone
CID 104610250
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone (CID 116750647) is (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone is CCn1nccc1C(=O)C1(OC)CCCCCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone?
The InChIKey is DICUKFDLRFEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-12(8-11-15-16)13(17)14(18-2)9-6-4-5-7-10-14/h8,11H,3-7,9-10H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone?
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone is sourced from PubChem (CID 116750647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).