1-(3,3-difluorocyclobutyl)-4-methylpyrazole

C8H10F2N2 — CID 166121697

IUPAC1-(3,3-difluorocyclobutyl)-4-methylpyrazole
SMILESCc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2/c1-6-4-11-12(5-6)7-2-8(9,10)3-7/h4-5,7H,2-3H2,1H3
InChIKeyDRMFCGGVKYULEU-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.16
Rot. Bonds1

About 1-(3,3-difluorocyclobutyl)-4-methylpyrazole

1-(3,3-difluorocyclobutyl)-4-methylpyrazole (PubChem CID 166121697) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole
PubChem CID166121697
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(3,3-difluorocyclobutyl)-4-methylpyrazole
SMILESCc1cnn(C2CC(F)(F)C2)c1
InChIInChI=1S/C8H10F2N2/c1-6-4-11-12(5-6)7-2-8(9,10)3-7/h4-5,7H,2-3H2,1H3
InChIKeyDRMFCGGVKYULEU-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole (CID 166121697) is 1-(3,3-difluorocyclobutyl)-4-methylpyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole is Cc1cnn(C2CC(F)(F)C2)c1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole?
The InChIKey is DRMFCGGVKYULEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-6-4-11-12(5-6)7-2-8(9,10)3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-4-methylpyrazole?
1-(3,3-difluorocyclobutyl)-4-methylpyrazole has a molecular weight of 172.18 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-4-methylpyrazole is sourced from PubChem (CID 166121697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).