5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole

C8H10F2N2O — CID 134393651

IUPAC5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
SMILESFC(F)C1(COc2ccn[nH]2)CC1
InChIInChI=1S/C8H10F2N2O/c9-7(10)8(2-3-8)5-13-6-1-4-11-12-6/h1,4,7H,2-3,5H2,(H,11,12)
InChIKeyRHJBDNDXXIXZSI-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.83
Rot. Bonds4

About 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole

5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole (PubChem CID 134393651) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
PubChem CID134393651
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole
SMILESFC(F)C1(COc2ccn[nH]2)CC1
InChIInChI=1S/C8H10F2N2O/c9-7(10)8(2-3-8)5-13-6-1-4-11-12-6/h1,4,7H,2-3,5H2,(H,11,12)
InChIKeyRHJBDNDXXIXZSI-UHFFFAOYSA-N
XLogP1.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The IUPAC name of 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole (CID 134393651) is 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The canonical SMILES for 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole is FC(F)C1(COc2ccn[nH]2)CC1.
What is the InChIKey of 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
The InChIKey is RHJBDNDXXIXZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-7(10)8(2-3-8)5-13-6-1-4-11-12-6/h1,4,7H,2-3,5H2,(H,11,12).
What are the key properties of 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole?
5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole has a molecular weight of 188.18 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)cyclopropyl]methoxy]-1H-pyrazole is sourced from PubChem (CID 134393651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).