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

C17H21F2N5O2 — CID 59333107

IUPACN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C17H21F2N5O2/c18-17(19)24-11-12(5-6-16(24)26)13-10-14(22-21-13)20-15(25)4-3-9-23-7-1-2-8-23/h5-6,10-11,17H,1-4,7-9H2,(H2,20,21,22,25)
InChIKeySCATYAAAODEOTH-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.45
Rot. Bonds7

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

N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59333107) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59333107
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC NameN-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2ccc(=O)n(C(F)F)c2)[nH]n1
InChIInChI=1S/C17H21F2N5O2/c18-17(19)24-11-12(5-6-16(24)26)13-10-14(22-21-13)20-15(25)4-3-9-23-7-1-2-8-23/h5-6,10-11,17H,1-4,7-9H2,(H2,20,21,22,25)
InChIKeySCATYAAAODEOTH-UHFFFAOYSA-N
XLogP2.45
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.45
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]-3,3-dimethyl-4-pyrrolidin-1-ylbutanamide
CID 59333043
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
1-(difluoromethyl)-5-[3-[(1-hydroxy-4-piperidin-1-ylbutyl)amino]-1H-pyrazol-5-yl]pyridin-2-one
CID 91460519
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59333107) is N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)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]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is SCATYAAAODEOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c18-17(19)24-11-12(5-6-16(24)26)13-10-14(22-21-13)20-15(25)4-3-9-23-7-1-2-8-23/h5-6,10-11,17H,1-4,7-9H2,(H2,20,21,22,25).
What are the key properties of N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 365.38 g/mol, XLogP of 2.45, 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]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59333107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).