3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole

C11H18N2 — CID 171383954

IUPAC3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CCCC2)c1C
InChIInChI=1S/C11H18N2/c1-3-10-8(2)11(13-12-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,12,13)
InChIKeyZOKFLVVCYUTNRE-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds2

About 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole

3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole (PubChem CID 171383954) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole
PubChem CID171383954
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole
SMILESCCc1[nH]nc(C2CCCC2)c1C
InChIInChI=1S/C11H18N2/c1-3-10-8(2)11(13-12-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,12,13)
InChIKeyZOKFLVVCYUTNRE-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole?
The IUPAC name of 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole (CID 171383954) is 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole.
What is the SMILES notation for 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole?
The canonical SMILES for 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole is CCc1[nH]nc(C2CCCC2)c1C.
What is the InChIKey of 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole?
The InChIKey is ZOKFLVVCYUTNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10-8(2)11(13-12-10)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole?
3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-ethyl-4-methyl-1H-pyrazole is sourced from PubChem (CID 171383954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).