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

C18H11Cl2N5O — CID 108760966

IUPAC(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-6-4-12(9-15(14)20)5-7-17(26)24-18-13(10-21)11-23-25(18)16-3-1-2-8-22-16/h1-9,11H,(H,24,26)/b7-5+
InChIKeyJAKWAWSYDUHDKE-FNORWQNLSA-N
MW384.23 g/mol
LogP4.10
Rot. Bonds4

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

(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 108760966) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID108760966
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESN#Cc1cnn(-c2ccccn2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H11Cl2N5O/c19-14-6-4-12(9-15(14)20)5-7-17(26)24-18-13(10-21)11-23-25(18)16-3-1-2-8-22-16/h1-9,11H,(H,24,26)/b7-5+
InChIKeyJAKWAWSYDUHDKE-FNORWQNLSA-N
XLogP4.10
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.10
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

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-(2,4-dimethoxyphenyl)prop-2-enamide
CID 108760960
3,6-dichloro-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methoxybenzamide
CID 108738030
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-ethylbutanamide
CID 108738040
4-(4-bromo-2-chlorophenoxy)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)butanamide
CID 108761007
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylbenzamide
CID 108738088
(Z)-N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108769375
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108760932
N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-4-(dimethylamino)benzamide
CID 108738078
1-acetyl-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)piperidine-4-carboxamide
CID 108738120
1-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-phenylthiourea
CID 108782402
[4-[(E)-3-[(4-cyano-1-quinolin-2-ylpyrazol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 108769379

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 108760966) is (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is N#Cc1cnn(-c2ccccn2)c1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is JAKWAWSYDUHDKE-FNORWQNLSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c19-14-6-4-12(9-15(14)20)5-7-17(26)24-18-13(10-21)11-23-25(18)16-3-1-2-8-22-16/h1-9,11H,(H,24,26)/b7-5+.
What are the key properties of (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 384.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108760966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).