3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

C19H13F2N5O — CID 169305375

IUPAC3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C(F)=Cc2ccc(C#N)c(F)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H13F2N5O/c1-11-17(13-4-6-23-7-5-13)25-26-18(11)24-19(27)16(21)9-12-2-3-14(10-22)15(20)8-12/h2-9H,1H3,(H2,24,25,26,27)
InChIKeyNEOIKFFQKUJRCC-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.74
Rot. Bonds4

About 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 169305375) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID169305375
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C(F)=Cc2ccc(C#N)c(F)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H13F2N5O/c1-11-17(13-4-6-23-7-5-13)25-26-18(11)24-19(27)16(21)9-12-2-3-14(10-22)15(20)8-12/h2-9H,1H3,(H2,24,25,26,27)
InChIKeyNEOIKFFQKUJRCC-UHFFFAOYSA-N
XLogP3.74
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305313
3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305410
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305342
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide
CID 169305409
3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
CID 156583771
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide;2,2,2-trifluoroacetic acid
CID 175903068
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-3,5-bis(trifluoromethyl)benzamide
CID 60591038
2-amino-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 166319911
N-(4-cyano-3-fluorophenyl)propanamide
CID 130705875
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 169305375) is 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is Cc1c(NC(=O)C(F)=Cc2ccc(C#N)c(F)c2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is NEOIKFFQKUJRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c1-11-17(13-4-6-23-7-5-13)25-26-18(11)24-19(27)16(21)9-12-2-3-14(10-22)15(20)8-12/h2-9H,1H3,(H2,24,25,26,27).
What are the key properties of 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 365.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 169305375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).