N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

C20H22F2N4O2 — CID 174372587

IUPACN-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C20H22F2N4O2/c1-2-14(18(28)26-9-8-19(12-26)11-20(19,21)22)23-17(27)16-10-15(24-25-16)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,27)(H,24,25)/t14-,19?/m1/s1
InChIKeyOFLARVDHOMIROU-MJTSIZKDSA-N
MW388.42 g/mol
LogP2.84
Rot. Bonds5

About N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 174372587) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID174372587
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC2(C1)CC2(F)F
InChIInChI=1S/C20H22F2N4O2/c1-2-14(18(28)26-9-8-19(12-26)11-20(19,21)22)23-17(27)16-10-15(24-25-16)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,27)(H,24,25)/t14-,19?/m1/s1
InChIKeyOFLARVDHOMIROU-MJTSIZKDSA-N
XLogP2.84
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 110205416
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
(2R)-1-[(3R)-2,2-difluoro-5-azaspiro[2.4]heptan-5-yl]-2-[[5-[4-(difluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]butan-1-one
CID 174251433
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
(2S,3R)-3-hydroxy-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 104964742
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 114751786
N-(4-methylpiperazin-1-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8888927
3-fluoro-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119259143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 174372587) is N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is CC[C@@H](NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)N1CCC2(C1)CC2(F)F.
What is the InChIKey of N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OFLARVDHOMIROU-MJTSIZKDSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-2-14(18(28)26-9-8-19(12-26)11-20(19,21)22)23-17(27)16-10-15(24-25-16)13-6-4-3-5-7-13/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,23,27)(H,24,25)/t14-,19?/m1/s1.
What are the key properties of N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-1-oxobutan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 174372587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).