(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

C20H17N5O3 — CID 108760960

IUPAC(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2ccccn2)c(OC)c1
InChIInChI=1S/C20H17N5O3/c1-27-16-8-6-14(17(11-16)28-2)7-9-19(26)24-20-15(12-21)13-23-25(20)18-5-3-4-10-22-18/h3-11,13H,1-2H3,(H,24,26)/b9-7+
InChIKeyYLGFVKQBNAKGJO-VQHVLOKHSA-N
MW375.39 g/mol
LogP2.81
Rot. Bonds6

About (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 108760960) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
PubChem CID108760960
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2ccccn2)c(OC)c1
InChIInChI=1S/C20H17N5O3/c1-27-16-8-6-14(17(11-16)28-2)7-9-19(26)24-20-15(12-21)13-23-25(20)18-5-3-4-10-22-18/h3-11,13H,1-2H3,(H,24,26)/b9-7+
InChIKeyYLGFVKQBNAKGJO-VQHVLOKHSA-N
XLogP2.81
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(E)-3-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]benzoate
CID 108738023
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108760966
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379
(E)-N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 17121190
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108761002
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782597
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(4-propylphenoxy)acetamide
CID 108760998
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide (CID 108760960) is (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2c(C#N)cnn2-c2ccccn2)c(OC)c1.
What is the InChIKey of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is YLGFVKQBNAKGJO-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-16-8-6-14(17(11-16)28-2)7-9-19(26)24-20-15(12-21)13-23-25(20)18-5-3-4-10-22-18/h3-11,13H,1-2H3,(H,24,26)/b9-7+.
What are the key properties of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 375.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 108760960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).