5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole

C14H24N2O2 — CID 81173792

IUPAC5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C14H24N2O2/c1-3-17-14(18-4-2)13-10-12(15-16-13)11-8-6-5-7-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMEKSNTBFNZSXKB-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.53
Rot. Bonds6

About 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole

5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole (PubChem CID 81173792) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
PubChem CID81173792
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C14H24N2O2/c1-3-17-14(18-4-2)13-10-12(15-16-13)11-8-6-5-7-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyMEKSNTBFNZSXKB-UHFFFAOYSA-N
XLogP3.53
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155525538
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
CID 155554685
3-cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155559284
5-(diethoxymethyl)-3-(4-fluorophenyl)-1H-pyrazole
CID 81174511
5-(Diethoxymethyl)-3-methyl-1H-pyrazole
CID 15707953
5-(diethoxymethyl)-3-(3,5-difluorophenyl)-1H-pyrazole
CID 68684839
3-(1,1-difluoroethyl)-5-(4-methyloxan-2-yl)-1H-pyrazole
CID 126763985
5-(diethoxymethyl)-3-(3-methylphenyl)-1H-pyrazole
CID 81173711
5-(diethoxymethyl)-3-(2-methylphenyl)-1H-pyrazole
CID 81173875
5-(diethoxymethyl)-3-(4-methylphenyl)-1H-pyrazole
CID 81174363
5-(1,3-dioxan-2-yl)-3-(4-methylphenyl)-1H-pyrazole
CID 155932072
5-(1,3-dioxan-2-yl)-3-(3-methylphenyl)-1H-pyrazole
CID 155932800

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole?
The IUPAC name of 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole (CID 81173792) is 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole is CCOC(OCC)c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole?
The InChIKey is MEKSNTBFNZSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-17-14(18-4-2)13-10-12(15-16-13)11-8-6-5-7-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole?
5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole has a molecular weight of 252.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(diethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 81173792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).