cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate

C14H22N2O2 — CID 134055540

IUPACcyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
SMILESCc1nn(C)c(C)c1CC(=O)OC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-10-13(11(2)16(3)15-10)9-14(17)18-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLGWOPJRAFUDJDW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.46
Rot. Bonds3

About cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate

cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate (PubChem CID 134055540) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
PubChem CID134055540
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namecyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate
SMILESCc1nn(C)c(C)c1CC(=O)OC1CCCCC1
InChIInChI=1S/C14H22N2O2/c1-10-13(11(2)16(3)15-10)9-14(17)18-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3
InChIKeyLGWOPJRAFUDJDW-UHFFFAOYSA-N
XLogP2.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
1-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105107419
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105104099
1-piperidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705889
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 36515196
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 79236153
2-cyclohexyloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 55220028
(2S)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119725181
N-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36908003
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 124963134
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The IUPAC name of cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate (CID 134055540) is cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The canonical SMILES for cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate is Cc1nn(C)c(C)c1CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The InChIKey is LGWOPJRAFUDJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-13(11(2)16(3)15-10)9-14(17)18-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3.
What are the key properties of cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate?
cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate has a molecular weight of 250.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(1,3,5-trimethylpyrazol-4-yl)acetate is sourced from PubChem (CID 134055540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).