3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole

C8H10F2N2 — CID 118271840

IUPAC3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1C(F)F
InChIInChI=1S/C8H10F2N2/c1-4-6(8(9)10)7(12-11-4)5-2-3-5/h5,8H,2-3H2,1H3,(H,11,12)
InChIKeyVHWGENCMFYBCIJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.53
Rot. Bonds2

About 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole

3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole (PubChem CID 118271840) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole
PubChem CID118271840
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1C(F)F
InChIInChI=1S/C8H10F2N2/c1-4-6(8(9)10)7(12-11-4)5-2-3-5/h5,8H,2-3H2,1H3,(H,11,12)
InChIKeyVHWGENCMFYBCIJ-UHFFFAOYSA-N
XLogP2.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-Butyl-3-(trifluoromethyl)-1H-pyrazole
CID 600756
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2802863
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-Diethyl-4-methylpyrazole
CID 139517
3-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 312127
4-(3-Bromopropyl)-3,5-dimethyl-1H-pyrazole
CID 129600822
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
3,5-Di-t-butyl-4-methylpyrazole
CID 140411
3-tert-butyl-4-fluoro-5-methyl-1H-pyrazole
CID 118259105
3,5-diethyl-4-fluoro-1H-pyrazole
CID 153564209
3-Methyl-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole
CID 23279515
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 19616647

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole (CID 118271840) is 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole is Cc1[nH]nc(C2CC2)c1C(F)F.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole?
The InChIKey is VHWGENCMFYBCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-4-6(8(9)10)7(12-11-4)5-2-3-5/h5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole?
3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole has a molecular weight of 172.18 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-5-methyl-1H-pyrazole is sourced from PubChem (CID 118271840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).