N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

C23H19F3N4O3 — CID 67064235

IUPACN-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)Nc2cc(-c3cccc(CO)c3)n3nccc3n2)cc1)C(F)(F)F
InChIInChI=1S/C23H19F3N4O3/c1-22(33,23(24,25)26)17-7-5-15(6-8-17)21(32)29-19-12-18(30-20(28-19)9-10-27-30)16-4-2-3-14(11-16)13-31/h2-12,31,33H,13H2,1H3,(H,28,29,32)
InChIKeyFZVYUICXNYCBFC-UHFFFAOYSA-N
MW456.42 g/mol
LogP3.91
Rot. Bonds5

About N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide

N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (PubChem CID 67064235) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
PubChem CID67064235
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC NameN-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
SMILESCC(O)(c1ccc(C(=O)Nc2cc(-c3cccc(CO)c3)n3nccc3n2)cc1)C(F)(F)F
InChIInChI=1S/C23H19F3N4O3/c1-22(33,23(24,25)26)17-7-5-15(6-8-17)21(32)29-19-12-18(30-20(28-19)9-10-27-30)16-4-2-3-14(11-16)13-31/h2-12,31,33H,13H2,1H3,(H,28,29,32)
InChIKeyFZVYUICXNYCBFC-UHFFFAOYSA-N
XLogP3.91
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.42
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide (CID 67064235) is N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is CC(O)(c1ccc(C(=O)Nc2cc(-c3cccc(CO)c3)n3nccc3n2)cc1)C(F)(F)F.
What is the InChIKey of N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
The InChIKey is FZVYUICXNYCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-22(33,23(24,25)26)17-7-5-15(6-8-17)21(32)29-19-12-18(30-20(28-19)9-10-27-30)16-4-2-3-14(11-16)13-31/h2-12,31,33H,13H2,1H3,(H,28,29,32).
What are the key properties of N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide?
N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide has a molecular weight of 456.42 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[3-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 67064235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).