3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

C18H15IN4O — CID 169305410

IUPAC3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccc(I)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H15IN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyFZQZXUZNWXNRII-UHFFFAOYSA-N
MW430.25 g/mol
LogP4.04
Rot. Bonds4

About 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 169305410) has the molecular formula C18H15IN4O and a molecular weight of 430.25 g/mol. Its IUPAC name is 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID169305410
Molecular FormulaC18H15IN4O
Molecular Weight430.25 g/mol
Exact Mass430.03
IUPAC Name3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccc(I)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H15IN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyFZQZXUZNWXNRII-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305313
3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305342
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 175937897
(E)-3-(4-iodophenyl)-N-methylprop-2-enamide
CID 147337787
3-pyridin-4-yl-N-(2H-tetrazol-5-yl)prop-2-enamide
CID 54433090
3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305375
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700
3-(4-methylsulfanylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5126698
(E)-3-(3-bromophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 112689282
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
N-hydroxy-3-pyridin-4-ylprop-2-enamide
CID 3623362
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 169305410) is 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is Cc1c(NC(=O)C=Cc2ccc(I)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is FZQZXUZNWXNRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 430.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 169305410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).