N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H24F2N4O2 — CID 71906686

IUPACN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(NC(=O)C2CC(=O)N(C(C)C)C2)c(C(F)F)n1
InChIInChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24)
InChIKeyYFWKSJLVXQSPLY-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.67
Rot. Bonds6

About N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 71906686) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID71906686
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC NameN-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)Cn1cc(NC(=O)C2CC(=O)N(C(C)C)C2)c(C(F)F)n1
InChIInChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24)
InChIKeyYFWKSJLVXQSPLY-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclopropylmethyl)-3-isopropyl-5-oxo-1,4-diazepan-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 56868941
(3S)-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 97083193
1-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 164633650
1-(2,2-difluoroethyl)-N-ethyl-3-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 164635018
(3S)-1-acetyl-N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 164635047
(6S)-6-methyl-3-[2-oxo-4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]pyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 121483882
tert-butyl (6S)-6-methyl-3-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419992
tert-butyl (6S)-6-methyl-3-[2-oxo-4-[[(2,2,2-trifluoroacetyl)amino]carbamoyl]pyrrolidin-1-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419996
2-oxo-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 155046582
N-(aminomethylidene)-3-[(3-methyl-1-pyrrolidin-3-ylpyrazol-4-yl)amino]-N'-[3-(2-oxopiperidin-1-yl)propyl]-2-(trifluoromethyl)prop-2-enimidamide
CID 174094268
N-(aminomethylidene)-3-[[1-(1-ethylpyrrolidin-3-yl)-3-methylpyrazol-4-yl]amino]-N'-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(trifluoromethyl)prop-2-enimidamide
CID 174094318
4-[3-(Trifluoromethyl)pyrazol-1-yl]pyrrolidin-2-one
CID 175291870

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 71906686) is N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)Cn1cc(NC(=O)C2CC(=O)N(C(C)C)C2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YFWKSJLVXQSPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-9(2)6-21-8-12(14(20-21)15(17)18)19-16(24)11-5-13(23)22(7-11)10(3)4/h8-11,15H,5-7H2,1-4H3,(H,19,24).
What are the key properties of N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71906686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).