1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole

C13H20N2 — CID 170214162

IUPAC1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cc(C)nn1C1CCCCC1
InChIInChI=1S/C13H20N2/c1-10(2)13-9-11(3)14-15(13)12-7-5-4-6-8-12/h9,12H,1,4-8H2,2-3H3
InChIKeyRGNYLBOZAIOUDS-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.73
Rot. Bonds2

About 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole

1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole (PubChem CID 170214162) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
PubChem CID170214162
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cc(C)nn1C1CCCCC1
InChIInChI=1S/C13H20N2/c1-10(2)13-9-11(3)14-15(13)12-7-5-4-6-8-12/h9,12H,1,4-8H2,2-3H3
InChIKeyRGNYLBOZAIOUDS-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-cyclohexyl-3-methylpyrazole
CID 82386636
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
CID 139341921
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
2-[(2-cyclohexyl-5-methylpyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 154116224
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 166310810
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
CID 139821332
methyl 3-tert-butyl-1-cyclooctylpyrazole-5-carboxylate
CID 139229092

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole?
The IUPAC name of 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole (CID 170214162) is 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole is C=C(C)c1cc(C)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole?
The InChIKey is RGNYLBOZAIOUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)13-9-11(3)14-15(13)12-7-5-4-6-8-12/h9,12H,1,4-8H2,2-3H3.
What are the key properties of 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole?
1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole has a molecular weight of 204.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole is sourced from PubChem (CID 170214162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).