6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide

C19H18F2N6O3 — CID 175152668

IUPAC6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)C2)ncn1
InChIInChI=1S/C19H18F2N6O3/c20-12-5-11(6-13(21)7-12)16-1-3-25-27(16)19(29)26-4-2-14(9-26)30-17-8-15(18(22)28)23-10-24-17/h3,5-8,10,14,16H,1-2,4,9H2,(H2,22,28)
InChIKeyFNFASEAIQOGMCU-UHFFFAOYSA-N
MW416.39 g/mol
LogP1.86
Rot. Bonds4

About 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide

6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide (PubChem CID 175152668) has the molecular formula C19H18F2N6O3 and a molecular weight of 416.39 g/mol. Its IUPAC name is 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
PubChem CID175152668
Molecular FormulaC19H18F2N6O3
Molecular Weight416.39 g/mol
Exact Mass416.14
IUPAC Name6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OC2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)C2)ncn1
InChIInChI=1S/C19H18F2N6O3/c20-12-5-11(6-13(21)7-12)16-1-3-25-27(16)19(29)26-4-2-14(9-26)30-17-8-15(18(22)28)23-10-24-17/h3,5-8,10,14,16H,1-2,4,9H2,(H2,22,28)
InChIKeyFNFASEAIQOGMCU-UHFFFAOYSA-N
XLogP1.86
TPSA114.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide 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

6-[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 156785810
[(3R)-1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl] methanesulfonate
CID 156785824
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-1H-pyridin-2-one
CID 166747249
5-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxy-2-fluorobenzonitrile
CID 166747332
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(5,6-dimethylpyrimidin-4-yl)oxyazetidin-1-yl]methanone
CID 162385799
azetidin-1-yl-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 162385835
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 166747364
[3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-[(3,5-difluoro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 151475313
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[3-(4-hydroxyphenoxy)azetidin-1-yl]methanone
CID 166753324
6-[4-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 166861204
[(3R)-3-(2-fluorophenoxy)pyrrolidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 156785746
5-[4-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-yl]oxy-5-fluoro-2-pyridinyl]-1,4-dimethylpyrazole-3-carboxamide
CID 174200499

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The IUPAC name of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide (CID 175152668) is 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide.
What is the SMILES notation for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The canonical SMILES for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide is NC(=O)c1cc(OC2CCN(C(=O)N3N=CCC3c3cc(F)cc(F)c3)C2)ncn1.
What is the InChIKey of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
The InChIKey is FNFASEAIQOGMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O3/c20-12-5-11(6-13(21)7-12)16-1-3-25-27(16)19(29)26-4-2-14(9-26)30-17-8-15(18(22)28)23-10-24-17/h3,5-8,10,14,16H,1-2,4,9H2,(H2,22,28).
What are the key properties of 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide?
6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide has a molecular weight of 416.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]pyrrolidin-3-yl]oxypyrimidine-4-carboxamide is sourced from PubChem (CID 175152668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).