N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide

C19H19F2N5O — CID 118560393

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C19H19F2N5O/c1-25(2)18-6-4-13(11-22-18)10-19(27)23-17-7-8-26(24-17)12-14-3-5-15(20)16(21)9-14/h3-9,11H,10,12H2,1-2H3,(H,23,24,27)
InChIKeyPNAQMBCCITXUCG-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.85
Rot. Bonds6

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide (PubChem CID 118560393) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
PubChem CID118560393
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1
InChIInChI=1S/C19H19F2N5O/c1-25(2)18-6-4-13(11-22-18)10-19(27)23-17-7-8-26(24-17)12-14-3-5-15(20)16(21)9-14/h3-9,11H,10,12H2,1-2H3,(H,23,24,27)
InChIKeyPNAQMBCCITXUCG-UHFFFAOYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
2-[5,7-Dimethyl-2-(pyridin-3-YL)-[1,2,4]triazolo[1,5-A]pyrimidin-6-YL]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50750207
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
N-(2-cyclohex-1-en-1-ylethyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3242249
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide (CID 118560393) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide is CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)c(F)c3)n2)cn1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The InChIKey is PNAQMBCCITXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-25(2)18-6-4-13(11-22-18)10-19(27)23-17-7-8-26(24-17)12-14-3-5-15(20)16(21)9-14/h3-9,11H,10,12H2,1-2H3,(H,23,24,27).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 118560393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).