5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole

C8H12F2N2 — CID 139354609

IUPAC5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole
SMILESCc1c(C(C)C)n[nH]c1C(F)F
InChIInChI=1S/C8H12F2N2/c1-4(2)6-5(3)7(8(9)10)12-11-6/h4,8H,1-3H3,(H,11,12)
InChIKeyIHLIHRYSUCHFDB-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.78
Rot. Bonds2

About 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole

5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole (PubChem CID 139354609) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole
PubChem CID139354609
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole
SMILESCc1c(C(C)C)n[nH]c1C(F)F
InChIInChI=1S/C8H12F2N2/c1-4(2)6-5(3)7(8(9)10)12-11-6/h4,8H,1-3H3,(H,11,12)
InChIKeyIHLIHRYSUCHFDB-UHFFFAOYSA-N
XLogP2.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole (CID 139354609) is 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole is Cc1c(C(C)C)n[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is IHLIHRYSUCHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-4(2)6-5(3)7(8(9)10)12-11-6/h4,8H,1-3H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole?
5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 174.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 139354609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).