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

C18H21F3N4O2 — CID 3134066

IUPACN-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C18H21F3N4O2/c1-11(10-27-2)23-17(26)13-9-22-25-15(18(19,20)21)8-14(24-16(13)25)12-6-4-3-5-7-12/h3-7,9,11,14-15,24H,8,10H2,1-2H3,(H,23,26)
InChIKeyXYGLSBRKGPDEGP-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.31
Rot. Bonds5

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

N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3134066) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3134066
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F
InChIInChI=1S/C18H21F3N4O2/c1-11(10-27-2)23-17(26)13-9-22-25-15(18(19,20)21)8-14(24-16(13)25)12-6-4-3-5-7-12/h3-7,9,11,14-15,24H,8,10H2,1-2H3,(H,23,26)
InChIKeyXYGLSBRKGPDEGP-UHFFFAOYSA-N
XLogP3.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3134066) is N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC(C)NC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)(F)F.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XYGLSBRKGPDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-11(10-27-2)23-17(26)13-9-22-25-15(18(19,20)21)8-14(24-16(13)25)12-6-4-3-5-7-12/h3-7,9,11,14-15,24H,8,10H2,1-2H3,(H,23,26).
What are the key properties of N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3134066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).