[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

C12H13BrF2N4O — CID 164718707

IUPAC[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br
InChIInChI=1S/C12H13BrF2N4O/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7/h3,5-7,10,12,20H,1-2,4H2
InChIKeyJLMJJBFYAZZUOW-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.73
Rot. Bonds5

About [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol

[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (PubChem CID 164718707) has the molecular formula C12H13BrF2N4O and a molecular weight of 347.16 g/mol. Its IUPAC name is [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
PubChem CID164718707
Molecular FormulaC12H13BrF2N4O
Molecular Weight347.16 g/mol
Exact Mass346.02
IUPAC Name[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br
InChIInChI=1S/C12H13BrF2N4O/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7/h3,5-7,10,12,20H,1-2,4H2
InChIKeyJLMJJBFYAZZUOW-UHFFFAOYSA-N
XLogP2.73
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol (CID 164718707) is [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is OC(c1cnn(CC2CC2)c1)c1cn(C(F)F)nc1Br.
What is the InChIKey of [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
The InChIKey is JLMJJBFYAZZUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4O/c13-11-9(6-19(17-11)12(14)15)10(20)8-3-16-18(5-8)4-7-1-2-7/h3,5-7,10,12,20H,1-2,4H2.
What are the key properties of [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol?
[3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol has a molecular weight of 347.16 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(difluoromethyl)pyrazol-4-yl]-[1-(cyclopropylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 164718707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).