(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol

C10H10BrClF2N4O — CID 164719485

IUPAC(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC(F)F)nc2Cl)c(Br)n1
InChIInChI=1S/C10H10BrClF2N4O/c1-17-2-5(9(11)15-17)8(19)6-3-18(4-7(13)14)16-10(6)12/h2-3,7-8,19H,4H2,1H3
InChIKeyDRJWUADHRWMFEM-UHFFFAOYSA-N
MW355.57 g/mol
LogP2.38
Rot. Bonds4

About (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol

(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol (PubChem CID 164719485) has the molecular formula C10H10BrClF2N4O and a molecular weight of 355.57 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol
PubChem CID164719485
Molecular FormulaC10H10BrClF2N4O
Molecular Weight355.57 g/mol
Exact Mass353.97
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol
SMILESCn1cc(C(O)c2cn(CC(F)F)nc2Cl)c(Br)n1
InChIInChI=1S/C10H10BrClF2N4O/c1-17-2-5(9(11)15-17)8(19)6-3-18(4-7(13)14)16-10(6)12/h2-3,7-8,19H,4H2,1H3
InChIKeyDRJWUADHRWMFEM-UHFFFAOYSA-N
XLogP2.38
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol (CID 164719485) is (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol is Cn1cc(C(O)c2cn(CC(F)F)nc2Cl)c(Br)n1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol?
The InChIKey is DRJWUADHRWMFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF2N4O/c1-17-2-5(9(11)15-17)8(19)6-3-18(4-7(13)14)16-10(6)12/h2-3,7-8,19H,4H2,1H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol?
(3-bromo-1-methylpyrazol-4-yl)-[3-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol has a molecular weight of 355.57 g/mol, XLogP of 2.38, 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-chloro-1-(2,2-difluoroethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164719485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).