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

C19H25F2N5O2 — CID 59333043

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCC1
InChIInChI=1S/C19H25F2N5O2/c1-19(2,12-25-7-3-4-8-25)10-16(27)22-15-9-14(23-24-15)13-5-6-17(28)26(11-13)18(20)21/h5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3,(H2,22,23,24,27)
InChIKeyQIKGWYPUXOAQMZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.08
Rot. Bonds7

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

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide (PubChem CID 59333043) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
PubChem CID59333043
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
SMILESCC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCC1
InChIInChI=1S/C19H25F2N5O2/c1-19(2,12-25-7-3-4-8-25)10-16(27)22-15-9-14(23-24-15)13-5-6-17(28)26(11-13)18(20)21/h5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3,(H2,22,23,24,27)
InChIKeyQIKGWYPUXOAQMZ-UHFFFAOYSA-N
XLogP3.08
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methyl-4-pyrrolidin-1-ylbutanamide
CID 59333086
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
(3E,5E)-6-fluoro-3-methyl-N-[5-(1-methyl-2H-pyridin-4-yl)-1H-pyrazol-3-yl]hepta-3,5-dienamide
CID 143132084
3-[[(5-ethyl-1H-pyrazol-3-yl)-methylamino]methyl]-5-fluoro-1H-pyridin-2-one
CID 154976046

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide (CID 59333043) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide is CC(C)(CC(=O)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1)CN1CCCC1.
What is the InChIKey of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
The InChIKey is QIKGWYPUXOAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-19(2,12-25-7-3-4-8-25)10-16(27)22-15-9-14(23-24-15)13-5-6-17(28)26(11-13)18(20)21/h5-6,9,11,18H,3-4,7-8,10,12H2,1-2H3,(H2,22,23,24,27).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide has a molecular weight of 393.44 g/mol, XLogP of 3.08, 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]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59333043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).