N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide

C19H18FN5O2 — CID 166404673

IUPACN-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1
InChIInChI=1S/C19H18FN5O2/c1-2-18(26)24-8-5-14(6-9-24)19(27)22-17-7-10-25(23-17)16-4-3-13(12-21)11-15(16)20/h2-4,7,10-11,14H,1,5-6,8-9H2,(H,22,23,27)
InChIKeyALZIATKHBZYUFT-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166404673) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166404673
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1
InChIInChI=1S/C19H18FN5O2/c1-2-18(26)24-8-5-14(6-9-24)19(27)22-17-7-10-25(23-17)16-4-3-13(12-21)11-15(16)20/h2-4,7,10-11,14H,1,5-6,8-9H2,(H,22,23,27)
InChIKeyALZIATKHBZYUFT-UHFFFAOYSA-N
XLogP2.25
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-cyano-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 167941092
N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327787
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
1-(4-cyano-2-fluorophenyl)-N-(2-cyclopropyl-3-pyridinyl)piperidine-4-carboxamide
CID 155954791
1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 167912663
1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
CID 155946287
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 55855989
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 47059867
tert-butyl 4-[1-(4-cyano-2-fluorophenyl)triazole-4-carbonyl]oxypiperidine-1-carboxylate
CID 155565475

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166404673) is N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1.
What is the InChIKey of N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is ALZIATKHBZYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-2-18(26)24-8-5-14(6-9-24)19(27)22-17-7-10-25(23-17)16-4-3-13(12-21)11-15(16)20/h2-4,7,10-11,14H,1,5-6,8-9H2,(H,22,23,27).
What are the key properties of N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-2-fluorophenyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166404673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).