[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C19H22F2N4O3S — CID 137203661

IUPAC[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC(F)(F)C1CC(c2ccccc2)Nc2c(C(=O)N3CCS(=O)(=O)CC3)cnn21
InChIInChI=1S/C19H22F2N4O3S/c1-19(20,21)16-11-15(13-5-3-2-4-6-13)23-17-14(12-22-25(16)17)18(26)24-7-9-29(27,28)10-8-24/h2-6,12,15-16,23H,7-11H2,1H3
InChIKeyVHLJREOFQRFAQU-UHFFFAOYSA-N
MW424.47 g/mol
LogP2.51
Rot. Bonds3

About [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 137203661) has the molecular formula C19H22F2N4O3S and a molecular weight of 424.47 g/mol. Its IUPAC name is [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID137203661
Molecular FormulaC19H22F2N4O3S
Molecular Weight424.47 g/mol
Exact Mass424.14
IUPAC Name[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCC(F)(F)C1CC(c2ccccc2)Nc2c(C(=O)N3CCS(=O)(=O)CC3)cnn21
InChIInChI=1S/C19H22F2N4O3S/c1-19(20,21)16-11-15(13-5-3-2-4-6-13)23-17-14(12-22-25(16)17)18(26)24-7-9-29(27,28)10-8-24/h2-6,12,15-16,23H,7-11H2,1H3
InChIKeyVHLJREOFQRFAQU-UHFFFAOYSA-N
XLogP2.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-Dimethyl-N-{1-methyl-1-[4-(trifluoromethyl)phenyl]ethyl}-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030614
N-[3-(2-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136030746
N-{1-Ethyl-1-[4-(trifluoromethyl)phenyl]propyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059340
7,7-Dimethyl-5-phenyl-N-{1-propyl-1-[4-(trifluoromethyl)phenyl]-butyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059341
N-{1-Butyl-1-[4-(trifluoromethyl)phenyl]pentyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059342
N-{1-Isopropyl-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl}-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059343
N-[3-(4-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059348
N-[3-(3-fluorophenyl)pentan-3-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136059356
N-(tert-butyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2883919
(5S,7R)-N-benzhydryl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136188834
Pyrazolo[1,5-a]pyriMidine-3-carboxaMide, N-[(4-fluorophenyl)Methyl]-4,5,6,7-tetrahydro-5-(4-Methylphenyl)-7-(trifluoroMethyl)-, (5R,7S)-
CID 136234639
5-(4-Bromophenyl)-3-(1-piperidinylcarbonyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 2883904

Frequently Asked Questions

What is the IUPAC name of [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 137203661) is [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is CC(F)(F)C1CC(c2ccccc2)Nc2c(C(=O)N3CCS(=O)(=O)CC3)cnn21.
What is the InChIKey of [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is VHLJREOFQRFAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O3S/c1-19(20,21)16-11-15(13-5-3-2-4-6-13)23-17-14(12-22-25(16)17)18(26)24-7-9-29(27,28)10-8-24/h2-6,12,15-16,23H,7-11H2,1H3.
What are the key properties of [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 424.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1,1-difluoroethyl)-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 137203661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).