[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol

C11H14F2N4O — CID 43647414

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1CO
InChIInChI=1S/C11H14F2N4O/c1-7-9(6-18)8(2)17(15-7)5-10-14-3-4-16(10)11(12)13/h3-4,11,18H,5-6H2,1-2H3
InChIKeyGWFWDNOGQJFDAO-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.63
Rot. Bonds4

About [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 43647414) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID43647414
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol
SMILESCc1nn(Cc2nccn2C(F)F)c(C)c1CO
InChIInChI=1S/C11H14F2N4O/c1-7-9(6-18)8(2)17(15-7)5-10-14-3-4-16(10)11(12)13/h3-4,11,18H,5-6H2,1-2H3
InChIKeyGWFWDNOGQJFDAO-UHFFFAOYSA-N
XLogP1.63
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol (CID 43647414) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol is Cc1nn(Cc2nccn2C(F)F)c(C)c1CO.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is GWFWDNOGQJFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-7-9(6-18)8(2)17(15-7)5-10-14-3-4-16(10)11(12)13/h3-4,11,18H,5-6H2,1-2H3.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 256.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 43647414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).