3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole

C10H16F2N2 — CID 122532870

IUPAC3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C(C)C)nc1C(F)F
InChIInChI=1S/C10H16F2N2/c1-6(2)8-5-14(7(3)4)13-9(8)10(11)12/h5-7,10H,1-4H3
InChIKeyAASZXBXQAZGBBW-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.53
Rot. Bonds3

About 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole

3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole (PubChem CID 122532870) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole
PubChem CID122532870
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cn(C(C)C)nc1C(F)F
InChIInChI=1S/C10H16F2N2/c1-6(2)8-5-14(7(3)4)13-9(8)10(11)12/h5-7,10H,1-4H3
InChIKeyAASZXBXQAZGBBW-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole?
The IUPAC name of 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole (CID 122532870) is 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole is CC(C)c1cn(C(C)C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole?
The InChIKey is AASZXBXQAZGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-6(2)8-5-14(7(3)4)13-9(8)10(11)12/h5-7,10H,1-4H3.
What are the key properties of 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole?
3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole has a molecular weight of 202.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4-di(propan-2-yl)pyrazole is sourced from PubChem (CID 122532870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).