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

C18H14Cl2N4O — CID 169305342

IUPAC3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2cc(Cl)cc(Cl)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-17(13-4-6-21-7-5-13)23-24-18(11)22-16(25)3-2-12-8-14(19)10-15(20)9-12/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyTZIQTWBAOJOCMC-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.74
Rot. Bonds4

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

3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 169305342) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID169305342
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2cc(Cl)cc(Cl)c2)n[nH]c1-c1ccncc1
InChIInChI=1S/C18H14Cl2N4O/c1-11-17(13-4-6-21-7-5-13)23-24-18(11)22-16(25)3-2-12-8-14(19)10-15(20)9-12/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyTZIQTWBAOJOCMC-UHFFFAOYSA-N
XLogP4.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305410
3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305313
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
(E)-3-(3,5-dichlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 24554768
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide;2,2,2-trifluoroacetic acid
CID 175903068
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 175937897
3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
(E)-3-(3-bromophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 112689282
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305375
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
N-(1H-pyrazol-5-yl)-3-pyridin-4-ylprop-2-enamide
CID 70007700

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 169305342) is 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is Cc1c(NC(=O)C=Cc2cc(Cl)cc(Cl)c2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is TZIQTWBAOJOCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-11-17(13-4-6-21-7-5-13)23-24-18(11)22-16(25)3-2-12-8-14(19)10-15(20)9-12/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 373.24 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 169305342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).