N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide

C20H17FN4O2 — CID 167815880

IUPACN-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN4O2/c1-3-19(26)24(2)16-8-4-14(5-9-16)20(27)23-18-12-13-22-25(18)17-10-6-15(21)7-11-17/h3-13H,1H2,2H3,(H,23,27)
InChIKeyIKOPOTIKCNJCOM-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide

N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide (PubChem CID 167815880) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
PubChem CID167815880
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
SMILESC=CC(=O)N(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN4O2/c1-3-19(26)24(2)16-8-4-14(5-9-16)20(27)23-18-12-13-22-25(18)17-10-6-15(21)7-11-17/h3-13H,1H2,2H3,(H,23,27)
InChIKeyIKOPOTIKCNJCOM-UHFFFAOYSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)pyrazol-3-yl]prop-2-enamide
CID 154779024
4-[methyl(prop-2-enoyl)amino]-N-(1-phenyltriazol-4-yl)benzamide
CID 166413727
N-(2,3-dimethylquinoxalin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413609
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
N-(1,3-benzothiazol-5-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413965
N-[4-(3-amino-3-oxopropyl)phenyl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413861
4-[methyl(prop-2-enoyl)amino]-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 166413850
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
N-[2-(4-aminophenyl)pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 62881880
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413998
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633
N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822906

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide (CID 167815880) is N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide is C=CC(=O)N(C)c1ccc(C(=O)Nc2ccnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
The InChIKey is IKOPOTIKCNJCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-3-19(26)24(2)16-8-4-14(5-9-16)20(27)23-18-12-13-22-25(18)17-10-6-15(21)7-11-17/h3-13H,1H2,2H3,(H,23,27).
What are the key properties of N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide?
N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide has a molecular weight of 364.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide is sourced from PubChem (CID 167815880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).