[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone

C19H15F2N5O2 — CID 1259791

IUPAC[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4ccnc4C)c3n2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11-22-7-8-25(11)19(27)14-10-23-26-16(17(20)21)9-15(24-18(14)26)12-3-5-13(28-2)6-4-12/h3-10,17H,1-2H3
InChIKeyIADQLUKKEROTSJ-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.54
Rot. Bonds4

About [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone

[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone (PubChem CID 1259791) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone
PubChem CID1259791
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4ccnc4C)c3n2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11-22-7-8-25(11)19(27)14-10-23-26-16(17(20)21)9-15(24-18(14)26)12-3-5-13(28-2)6-4-12/h3-10,17H,1-2H3
InChIKeyIADQLUKKEROTSJ-UHFFFAOYSA-N
XLogP3.54
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone?
The IUPAC name of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone (CID 1259791) is [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone.
What is the SMILES notation for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone?
The canonical SMILES for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)n4ccnc4C)c3n2)cc1.
What is the InChIKey of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone?
The InChIKey is IADQLUKKEROTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-11-22-7-8-25(11)19(27)14-10-23-26-16(17(20)21)9-15(24-18(14)26)12-3-5-13(28-2)6-4-12/h3-10,17H,1-2H3.
What are the key properties of [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone?
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone has a molecular weight of 383.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-methylimidazol-1-yl)methanone is sourced from PubChem (CID 1259791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).