5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C16H16F2N4O2 — CID 126449062

IUPAC5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C16H16F2N4O2/c17-15(18)12-7-13(21-20-12)16(24)19-8-10-6-14(23)22(9-10)11-4-2-1-3-5-11/h1-5,7,10,15H,6,8-9H2,(H,19,24)(H,20,21)/t10-/m1/s1
InChIKeyCUGRANXEWIEQHD-SNVBAGLBSA-N
MW334.33 g/mol
LogP2.13
Rot. Bonds5

About 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 126449062) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID126449062
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C16H16F2N4O2/c17-15(18)12-7-13(21-20-12)16(24)19-8-10-6-14(23)22(9-10)11-4-2-1-3-5-11/h1-5,7,10,15H,6,8-9H2,(H,19,24)(H,20,21)/t10-/m1/s1
InChIKeyCUGRANXEWIEQHD-SNVBAGLBSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide
CID 155913728
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
N-[[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]methyl]-5-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 131915542
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
3-cyclopentyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 16918197
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
CID 16918752

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 126449062) is 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is CUGRANXEWIEQHD-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-15(18)12-7-13(21-20-12)16(24)19-8-10-6-14(23)22(9-10)11-4-2-1-3-5-11/h1-5,7,10,15H,6,8-9H2,(H,19,24)(H,20,21)/t10-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 126449062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).