2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine

C11H11BrF2N4O — CID 167951831

IUPAC2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine
SMILESCn1ncc(Br)c1COc1nccc(C(C)(F)F)n1
InChIInChI=1S/C11H11BrF2N4O/c1-11(13,14)9-3-4-15-10(17-9)19-6-8-7(12)5-16-18(8)2/h3-5H,6H2,1-2H3
InChIKeyKTLKGEYERSVGTE-UHFFFAOYSA-N
MW333.14 g/mol
LogP2.66
Rot. Bonds4

About 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine

2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine (PubChem CID 167951831) has the molecular formula C11H11BrF2N4O and a molecular weight of 333.14 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine
PubChem CID167951831
Molecular FormulaC11H11BrF2N4O
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Name2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine
SMILESCn1ncc(Br)c1COc1nccc(C(C)(F)F)n1
InChIInChI=1S/C11H11BrF2N4O/c1-11(13,14)9-3-4-15-10(17-9)19-6-8-7(12)5-16-18(8)2/h3-5H,6H2,1-2H3
InChIKeyKTLKGEYERSVGTE-UHFFFAOYSA-N
XLogP2.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine?
The IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine (CID 167951831) is 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine?
The canonical SMILES for 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine is Cn1ncc(Br)c1COc1nccc(C(C)(F)F)n1.
What is the InChIKey of 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine?
The InChIKey is KTLKGEYERSVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4O/c1-11(13,14)9-3-4-15-10(17-9)19-6-8-7(12)5-16-18(8)2/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine?
2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine has a molecular weight of 333.14 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrazol-5-yl)methoxy]-4-(1,1-difluoroethyl)pyrimidine is sourced from PubChem (CID 167951831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).