N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide

C18H23F2N5O2 — CID 59333086

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CCN1CCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C18H23F2N5O2/c1-12(6-9-24-7-2-3-8-24)17(27)21-15-10-14(22-23-15)13-4-5-16(26)25(11-13)18(19)20/h4-5,10-12,18H,2-3,6-9H2,1H3,(H2,21,22,23,27)
InChIKeyWDYGRURPTAWJPZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.69
Rot. Bonds7

About N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 59333086) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
PubChem CID59333086
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(CCN1CCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C18H23F2N5O2/c1-12(6-9-24-7-2-3-8-24)17(27)21-15-10-14(22-23-15)13-4-5-16(26)25(11-13)18(19)20/h4-5,10-12,18H,2-3,6-9H2,1H3,(H2,21,22,23,27)
InChIKeyWDYGRURPTAWJPZ-UHFFFAOYSA-N
XLogP2.69
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide with MolForge

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Related Compounds

(3S)-1-benzyl-N-(5-butyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 95048324
(3S)-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 95320646
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-piperidin-1-ylbutanamide
CID 44621024
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-piperidin-1-ylbutanamide
CID 44621195
N-[5-(1-difluoromethyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-yl-butyramide
CID 44621228
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-piperidin-1-ylbutanamide
CID 45107277
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2-methyl-4-piperidin-1-ylbutanamide
CID 45107304
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333035
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-2,2-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333093
N-[5-[1-(difluoromethyl)-6-oxopyridin-3-yl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59333107
N-[5-[2-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 136354301

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide (CID 59333086) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide is CC(CCN1CCCC1)C(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is WDYGRURPTAWJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c1-12(6-9-24-7-2-3-8-24)17(27)21-15-10-14(22-23-15)13-4-5-16(26)25(11-13)18(19)20/h4-5,10-12,18H,2-3,6-9H2,1H3,(H2,21,22,23,27).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 379.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-2-methyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).