(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C19H13F3N4O2 — CID 135940951

IUPAC(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)n2nc(-c3ccc(F)cc3)cc2N1
InChIInChI=1S/C19H13F3N4O2/c20-11-3-1-10(2-4-11)15-8-17-24-18(27)9-16(26(17)25-15)19(28)23-12-5-6-13(21)14(22)7-12/h1-8,16H,9H2,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyUGINQQQIBGURRT-INIZCTEOSA-N
MW386.33 g/mol
LogP3.49
Rot. Bonds3

About (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135940951) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135940951
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC Name(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)n2nc(-c3ccc(F)cc3)cc2N1
InChIInChI=1S/C19H13F3N4O2/c20-11-3-1-10(2-4-11)15-8-17-24-18(27)9-16(26(17)25-15)19(28)23-12-5-6-13(21)14(22)7-12/h1-8,16H,9H2,(H,23,28)(H,24,27)/t16-/m0/s1
InChIKeyUGINQQQIBGURRT-INIZCTEOSA-N
XLogP3.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983736
Difenamizole
CID 65695
N-(2,4-difluorophenyl)-9-(trifluoromethyl)-4,4a,5,6,7,8,8a,9-octahydropyrazolo[5,1-b]quinazoline-2-carboxamide
CID 2981585
5-cyclopropyl-N-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3200320
(8aS)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56683159
4-(6-fluoroindolin-1-yl)-N-(4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperidine-1-carboxamide
CID 71657549
2-(4-Fluorophenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983741
N-[(4S,5S)-1-butan-2-yl-4-(4-fluorophenyl)-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzamide
CID 155525757
2-(4-Fluoro-3-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983765
N-butyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 659612
2-(5-butyl-2,6-dioxo-11-phenyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)-N-phenylacetamide
CID 2813828

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135940951) is (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)n2nc(-c3ccc(F)cc3)cc2N1.
What is the InChIKey of (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is UGINQQQIBGURRT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-11-3-1-10(2-4-11)15-8-17-24-18(27)9-16(26(17)25-15)19(28)23-12-5-6-13(21)14(22)7-12/h1-8,16H,9H2,(H,23,28)(H,24,27)/t16-/m0/s1.
What are the key properties of (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135940951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).