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

C10H11BrF2N4O — CID 164719439

IUPAC[4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2nn(C(F)F)cc2Br)cn1
InChIInChI=1S/C10H11BrF2N4O/c1-2-16-4-6(3-14-16)9(18)8-7(11)5-17(15-8)10(12)13/h3-5,9-10,18H,2H2,1H3
InChIKeySQMFTYGJBUSQSP-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.34
Rot. Bonds4

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

[4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol (PubChem CID 164719439) has the molecular formula C10H11BrF2N4O and a molecular weight of 321.13 g/mol. Its IUPAC name is [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
PubChem CID164719439
Molecular FormulaC10H11BrF2N4O
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name[4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2nn(C(F)F)cc2Br)cn1
InChIInChI=1S/C10H11BrF2N4O/c1-2-16-4-6(3-14-16)9(18)8-7(11)5-17(15-8)10(12)13/h3-5,9-10,18H,2H2,1H3
InChIKeySQMFTYGJBUSQSP-UHFFFAOYSA-N
XLogP2.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol (CID 164719439) is [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2nn(C(F)F)cc2Br)cn1.
What is the InChIKey of [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is SQMFTYGJBUSQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N4O/c1-2-16-4-6(3-14-16)9(18)8-7(11)5-17(15-8)10(12)13/h3-5,9-10,18H,2H2,1H3.
What are the key properties of [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol?
[4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 321.13 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(difluoromethyl)pyrazol-3-yl]-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 164719439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).