1-cyclohexyl-3-cyclopropyl-5-methylpyrazole

C13H20N2 — CID 139341921

IUPAC1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
SMILESCc1cc(C2CC2)nn1C1CCCCC1
InChIInChI=1S/C13H20N2/c1-10-9-13(11-7-8-11)14-15(10)12-5-3-2-4-6-12/h9,11-12H,2-8H2,1H3
InChIKeyCCMMPLWAMZPTEK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole

1-cyclohexyl-3-cyclopropyl-5-methylpyrazole (PubChem CID 139341921) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
PubChem CID139341921
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
SMILESCc1cc(C2CC2)nn1C1CCCCC1
InChIInChI=1S/C13H20N2/c1-10-9-13(11-7-8-11)14-15(10)12-5-3-2-4-6-12/h9,11-12H,2-8H2,1H3
InChIKeyCCMMPLWAMZPTEK-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole?
The IUPAC name of 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole (CID 139341921) is 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole.
What is the SMILES notation for 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole?
The canonical SMILES for 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole is Cc1cc(C2CC2)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole?
The InChIKey is CCMMPLWAMZPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-9-13(11-7-8-11)14-15(10)12-5-3-2-4-6-12/h9,11-12H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole?
1-cyclohexyl-3-cyclopropyl-5-methylpyrazole has a molecular weight of 204.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-cyclopropyl-5-methylpyrazole is sourced from PubChem (CID 139341921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).