(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol

C11H13BrF2N4O — CID 178128961

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
SMILESCCn1cc(C(O)c2cn(C)nc2Br)c(C(F)F)n1
InChIInChI=1S/C11H13BrF2N4O/c1-3-18-5-6(8(15-18)11(13)14)9(19)7-4-17(2)16-10(7)12/h4-5,9,11,19H,3H2,1-2H3
InChIKeyZKNNBJOLODPBTP-UHFFFAOYSA-N
MW335.15 g/mol
LogP2.42
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol (PubChem CID 178128961) has the molecular formula C11H13BrF2N4O and a molecular weight of 335.15 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
PubChem CID178128961
Molecular FormulaC11H13BrF2N4O
Molecular Weight335.15 g/mol
Exact Mass334.02
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
SMILESCCn1cc(C(O)c2cn(C)nc2Br)c(C(F)F)n1
InChIInChI=1S/C11H13BrF2N4O/c1-3-18-5-6(8(15-18)11(13)14)9(19)7-4-17(2)16-10(7)12/h4-5,9,11,19H,3H2,1-2H3
InChIKeyZKNNBJOLODPBTP-UHFFFAOYSA-N
XLogP2.42
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
[4-(Bromomethyl)-1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 87637809
(3-Bromo-1-methylpyrazol-4-yl)-[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methanol
CID 164718899
3-Bromo-4-[[1-(2,2-difluoroethyl)-3-methylpyrazol-4-yl]methyl]-1-methylpyrazole
CID 164719022
[3-Bromo-1-(difluoromethyl)pyrazol-4-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719159
(3-Bromo-1-methylpyrazol-4-yl)-[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methanol
CID 164719187
[4-Bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719439
[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(3-iodo-1-methylpyrazol-4-yl)methanol
CID 164719440
[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-(5-iodo-2-methyltriazol-4-yl)methanol
CID 166560240
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-(2,5-dimethyltriazol-4-yl)methanol
CID 167278955
(3-Bromo-1-methylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
CID 169193015
(1,3-Dimethylpyrazol-4-yl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanol
CID 169671135

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol (CID 178128961) is (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol is CCn1cc(C(O)c2cn(C)nc2Br)c(C(F)F)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The InChIKey is ZKNNBJOLODPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N4O/c1-3-18-5-6(8(15-18)11(13)14)9(19)7-4-17(2)16-10(7)12/h4-5,9,11,19H,3H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol has a molecular weight of 335.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-[3-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol is sourced from PubChem (CID 178128961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).