1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane

C11H20N2 — CID 176693094

IUPAC1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane
SMILESCC.CCc1cc(C)n(C2CC2)n1
InChIInChI=1S/C9H14N2.C2H6/c1-3-8-6-7(2)11(10-8)9-4-5-9;1-2/h6,9H,3-5H2,1-2H3;1-2H3
InChIKeyGPQFMPYZDOIZHH-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.12
Rot. Bonds2

About 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane

1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane (PubChem CID 176693094) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane
PubChem CID176693094
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane
SMILESCC.CCc1cc(C)n(C2CC2)n1
InChIInChI=1S/C9H14N2.C2H6/c1-3-8-6-7(2)11(10-8)9-4-5-9;1-2/h6,9H,3-5H2,1-2H3;1-2H3
InChIKeyGPQFMPYZDOIZHH-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
1-cyclopropyl-5-methylpyrazole-3-carbaldehyde
CID 115011794
1-cyclopropyl-5-methyl-1,2,4-triazole
CID 135170568
1-cyclohexyl-N-ethyl-5-methylpyrazol-3-amine
CID 174576132
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
4-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-1,2,4-triazole
CID 113301146
4-(1-cyclopentyl-3-ethylpyrazol-5-yl)-1,3-thiazole
CID 156761927
(1-cyclohexyl-3-ethylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 90875781
1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
CID 139341921
1-benzyl-4-(3,5-diethylpyrazol-1-yl)piperidine;N,N-diethylethanamine
CID 69192957
2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692230

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane?
The IUPAC name of 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane (CID 176693094) is 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane?
The canonical SMILES for 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane is CC.CCc1cc(C)n(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane?
The InChIKey is GPQFMPYZDOIZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-8-6-7(2)11(10-8)9-4-5-9;1-2/h6,9H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane?
1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane has a molecular weight of 180.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-5-methylpyrazole;ethane is sourced from PubChem (CID 176693094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).