[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

C19H16ClF3N4O2 — CID 1040119

IUPAC[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCOCC1
InChIInChI=1S/C19H16ClF3N4O2/c1-11-16(18(28)26-6-8-29-9-7-26)17-24-14(12-2-4-13(20)5-3-12)10-15(19(21,22)23)27(17)25-11/h2-5,10H,6-9H2,1H3
InChIKeyVKPRHSTUDRZUTR-UHFFFAOYSA-N
MW424.81 g/mol
LogP3.85
Rot. Bonds2

About [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone

[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 1040119) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
PubChem CID1040119
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCOCC1
InChIInChI=1S/C19H16ClF3N4O2/c1-11-16(18(28)26-6-8-29-9-7-26)17-24-14(12-2-4-13(20)5-3-12)10-15(19(21,22)23)27(17)25-11/h2-5,10H,6-9H2,1H3
InChIKeyVKPRHSTUDRZUTR-UHFFFAOYSA-N
XLogP3.85
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone (CID 1040119) is [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCOCC1.
What is the InChIKey of [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VKPRHSTUDRZUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c1-11-16(18(28)26-6-8-29-9-7-26)17-24-14(12-2-4-13(20)5-3-12)10-15(19(21,22)23)27(17)25-11/h2-5,10H,6-9H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone?
[5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 424.81 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1040119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).