(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide

C19H15N5O2 — CID 53331315

IUPAC(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C19H15N5O2/c1-26-19-15(13-24(23-19)16-7-3-2-4-8-16)11-14(12-20)18(25)22-17-9-5-6-10-21-17/h2-11,13H,1H3,(H,21,22,25)/b14-11+
InChIKeyQLDYCWKFADKFKY-SDNWHVSQSA-N
MW345.36 g/mol
LogP2.82
Rot. Bonds5

About (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide

(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 53331315) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide
PubChem CID53331315
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccn1
InChIInChI=1S/C19H15N5O2/c1-26-19-15(13-24(23-19)16-7-3-2-4-8-16)11-14(12-20)18(25)22-17-9-5-6-10-21-17/h2-11,13H,1H3,(H,21,22,25)/b14-11+
InChIKeyQLDYCWKFADKFKY-SDNWHVSQSA-N
XLogP2.82
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-hydroxy-N-pyridin-2-ylprop-2-enamide
CID 154274407
2-cyano-3-(2-phenylmethoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 4878324
2-cyano-3-(2-prop-2-enoxyphenyl)-N-pyridin-2-ylprop-2-enamide
CID 3282838
(E)-2-cyano-N-phenyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 78814569
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyano-N-(4-methoxyphenyl)prop-2-enamide
CID 44885504
(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-naphthalen-1-ylprop-2-enamide
CID 6299761
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
(Z)-N-(2-chlorophenyl)-2-cyano-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2424458
2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
CID 5138163
2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 3306986
ethyl 2-cyano-3-(3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2815116
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-pyridin-2-ylprop-2-enamide
CID 25111369

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide (CID 53331315) is (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide is COc1nn(-c2ccccc2)cc1/C=C(\C#N)C(=O)Nc1ccccn1.
What is the InChIKey of (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is QLDYCWKFADKFKY-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-19-15(13-24(23-19)16-7-3-2-4-8-16)11-14(12-20)18(25)22-17-9-5-6-10-21-17/h2-11,13H,1H3,(H,21,22,25)/b14-11+.
What are the key properties of (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide?
(E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 345.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3-methoxy-1-phenylpyrazol-4-yl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 53331315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).