(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C14H19F3N2O2 — CID 105133074

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCCn1ncc(OC)c1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-3-19-12(11(21-2)8-18-19)13(20)9-4-6-10(7-5-9)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeySHOPLAZVMZKQLM-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.46
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105133074) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105133074
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCCn1ncc(OC)c1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2/c1-3-19-12(11(21-2)8-18-19)13(20)9-4-6-10(7-5-9)14(15,16)17/h8-10H,3-7H2,1-2H3
InChIKeySHOPLAZVMZKQLM-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114663585
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(thian-4-yl)ethanone
CID 105133121
(1,4-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 112742472
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1,4-dioxan-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810342
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
(1,1-dioxothiolan-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114641974
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
2-(2-ethyl-1,2,4-triazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105111466

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105133074) is (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is CCn1ncc(OC)c1C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is SHOPLAZVMZKQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-19-12(11(21-2)8-18-19)13(20)9-4-6-10(7-5-9)14(15,16)17/h8-10H,3-7H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 304.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105133074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).