5-(2,2-dicyclohexylethoxy)-1H-pyrazole

C17H28N2O — CID 175509479

IUPAC5-(2,2-dicyclohexylethoxy)-1H-pyrazole
SMILESc1cc(OCC(C2CCCCC2)C2CCCCC2)[nH]n1
InChIInChI=1S/C17H28N2O/c1-3-7-14(8-4-1)16(15-9-5-2-6-10-15)13-20-17-11-12-18-19-17/h11-12,14-16H,1-10,13H2,(H,18,19)
InChIKeyYRPQHYWBDUVBKJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.57
Rot. Bonds5

About 5-(2,2-dicyclohexylethoxy)-1H-pyrazole

5-(2,2-dicyclohexylethoxy)-1H-pyrazole (PubChem CID 175509479) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-(2,2-dicyclohexylethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,2-dicyclohexylethoxy)-1H-pyrazole
PubChem CID175509479
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-(2,2-dicyclohexylethoxy)-1H-pyrazole
SMILESc1cc(OCC(C2CCCCC2)C2CCCCC2)[nH]n1
InChIInChI=1S/C17H28N2O/c1-3-7-14(8-4-1)16(15-9-5-2-6-10-15)13-20-17-11-12-18-19-17/h11-12,14-16H,1-10,13H2,(H,18,19)
InChIKeyYRPQHYWBDUVBKJ-UHFFFAOYSA-N
XLogP4.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Dispiro[2.0.2.1]hept-7-ylethoxy)-1H-pyraZole
CID 134587396
5-[2-[2-(trifluoromethyl)cyclopropyl]ethoxy]-1H-pyrazole
CID 139416468
5-[(3,3-difluorocyclohexyl)methoxy]-1H-pyrazole
CID 173542555
5-hexoxy-1H-pyrazole
CID 54438778
3-(Cyclobutylmethoxy)-1H-pyrazole
CID 130223797
5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole
CID 134393508
5-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]-1H-pyrazole
CID 134393593
5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole
CID 134393599
5-(2,2-dicyclopropylethoxy)-1H-pyrazole
CID 134393609
5-(3,3-dicyclopropylpropoxy)-1H-pyrazole
CID 134393614
5-(spiro[2.2]pentan-2-ylmethoxy)-1H-pyrazole
CID 134393666
5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole
CID 134393676

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dicyclohexylethoxy)-1H-pyrazole?
The IUPAC name of 5-(2,2-dicyclohexylethoxy)-1H-pyrazole (CID 175509479) is 5-(2,2-dicyclohexylethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(2,2-dicyclohexylethoxy)-1H-pyrazole?
The canonical SMILES for 5-(2,2-dicyclohexylethoxy)-1H-pyrazole is c1cc(OCC(C2CCCCC2)C2CCCCC2)[nH]n1.
What is the InChIKey of 5-(2,2-dicyclohexylethoxy)-1H-pyrazole?
The InChIKey is YRPQHYWBDUVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-7-14(8-4-1)16(15-9-5-2-6-10-15)13-20-17-11-12-18-19-17/h11-12,14-16H,1-10,13H2,(H,18,19).
What are the key properties of 5-(2,2-dicyclohexylethoxy)-1H-pyrazole?
5-(2,2-dicyclohexylethoxy)-1H-pyrazole has a molecular weight of 276.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dicyclohexylethoxy)-1H-pyrazole is sourced from PubChem (CID 175509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).