1-cyclohexyl-3-ethylpyrazole

C11H18N2 — CID 66014335

IUPAC1-cyclohexyl-3-ethylpyrazole
SMILESCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C11H18N2/c1-2-10-8-9-13(12-10)11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3
InChIKeyKEGLRKJRVVAUCD-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.95
Rot. Bonds2

About 1-cyclohexyl-3-ethylpyrazole

1-cyclohexyl-3-ethylpyrazole (PubChem CID 66014335) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethylpyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-ethylpyrazole
PubChem CID66014335
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-cyclohexyl-3-ethylpyrazole
SMILESCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C11H18N2/c1-2-10-8-9-13(12-10)11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3
InChIKeyKEGLRKJRVVAUCD-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylpyrazol-1-yl)-1-methylpiperidine
CID 170573689
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-cyclohexyl-3-[(2-ethylphenoxy)methyl]pyrazole
CID 64779347
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethylpyrazole?
The IUPAC name of 1-cyclohexyl-3-ethylpyrazole (CID 66014335) is 1-cyclohexyl-3-ethylpyrazole.
What is the SMILES notation for 1-cyclohexyl-3-ethylpyrazole?
The canonical SMILES for 1-cyclohexyl-3-ethylpyrazole is CCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-ethylpyrazole?
The InChIKey is KEGLRKJRVVAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-10-8-9-13(12-10)11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-3-ethylpyrazole?
1-cyclohexyl-3-ethylpyrazole has a molecular weight of 178.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethylpyrazole is sourced from PubChem (CID 66014335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).