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

C19H21F3N4O2 — CID 2975935

IUPACN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-15(12-5-2-1-3-6-12)25-17-14(11-24-26(16)17)18(27)23-10-13-7-4-8-28-13/h1-3,5-6,11,13,15-16,25H,4,7-10H2,(H,23,27)
InChIKeyLDOBUKYHRLKRBG-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.45
Rot. Bonds4

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

N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2975935) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2975935
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-15(12-5-2-1-3-6-12)25-17-14(11-24-26(16)17)18(27)23-10-13-7-4-8-28-13/h1-3,5-6,11,13,15-16,25H,4,7-10H2,(H,23,27)
InChIKeyLDOBUKYHRLKRBG-UHFFFAOYSA-N
XLogP3.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2975935) is N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCC1CCCO1)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LDOBUKYHRLKRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-15(12-5-2-1-3-6-12)25-17-14(11-24-26(16)17)18(27)23-10-13-7-4-8-28-13/h1-3,5-6,11,13,15-16,25H,4,7-10H2,(H,23,27).
What are the key properties of N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2975935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).