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

C8H10F2N2 — CID 90167689

IUPAC5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C8H10F2N2/c1-12-7(5-2-3-5)4-6(11-12)8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyLXCJDQSBXXDIME-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.24
Rot. Bonds2

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

5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole (PubChem CID 90167689) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole
PubChem CID90167689
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole
SMILESCn1nc(C(F)F)cc1C1CC1
InChIInChI=1S/C8H10F2N2/c1-12-7(5-2-3-5)4-6(11-12)8(9)10/h4-5,8H,2-3H2,1H3
InChIKeyLXCJDQSBXXDIME-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole?
The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole (CID 90167689) is 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole.
What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole?
The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole is Cn1nc(C(F)F)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole?
The InChIKey is LXCJDQSBXXDIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-12-7(5-2-3-5)4-6(11-12)8(9)10/h4-5,8H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole?
5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole has a molecular weight of 172.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(difluoromethyl)-1-methylpyrazole is sourced from PubChem (CID 90167689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).