N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H23F3N4O3 — CID 2883912

IUPACN-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4cccc(C(C)O)c4)cc3N2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-13(31)15-4-3-5-16(10-15)27-22(32)19-12-21-28-18(14-6-8-17(33-2)9-7-14)11-20(23(24,25)26)30(21)29-19/h3-10,12-13,18,20,28,31H,11H2,1-2H3,(H,27,32)
InChIKeyKSSIZNGUZFKRCJ-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.86
Rot. Bonds5

About N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2883912) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2883912
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4cccc(C(C)O)c4)cc3N2)cc1
InChIInChI=1S/C23H23F3N4O3/c1-13(31)15-4-3-5-16(10-15)27-22(32)19-12-21-28-18(14-6-8-17(33-2)9-7-14)11-20(23(24,25)26)30(21)29-19/h3-10,12-13,18,20,28,31H,11H2,1-2H3,(H,27,32)
InChIKeyKSSIZNGUZFKRCJ-UHFFFAOYSA-N
XLogP4.86
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2883912) is N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4cccc(C(C)O)c4)cc3N2)cc1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KSSIZNGUZFKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-13(31)15-4-3-5-16(10-15)27-22(32)19-12-21-28-18(14-6-8-17(33-2)9-7-14)11-20(23(24,25)26)30(21)29-19/h3-10,12-13,18,20,28,31H,11H2,1-2H3,(H,27,32).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2883912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).