3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole

C8H10F2N2O — CID 162371640

IUPAC3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(C2CC2)cc1OC(F)F
InChIInChI=1S/C8H10F2N2O/c1-12-7(13-8(9)10)4-6(11-12)5-2-3-5/h4-5,8H,2-3H2,1H3
InChIKeyNTLLAGSSWOBFRJ-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.90
Rot. Bonds3

About 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole

3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 162371640) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID162371640
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(C2CC2)cc1OC(F)F
InChIInChI=1S/C8H10F2N2O/c1-12-7(13-8(9)10)4-6(11-12)5-2-3-5/h4-5,8H,2-3H2,1H3
InChIKeyNTLLAGSSWOBFRJ-UHFFFAOYSA-N
XLogP1.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole (CID 162371640) is 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(C2CC2)cc1OC(F)F.
What is the InChIKey of 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is NTLLAGSSWOBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-12-7(13-8(9)10)4-6(11-12)5-2-3-5/h4-5,8H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole?
3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 188.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 162371640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).