(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide

C17H19N5O2 — CID 47495568

IUPAC(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1
InChIInChI=1S/C17H19N5O2/c1-22-12-15(16(21-22)13-4-7-19-8-5-13)10-14(11-18)17(23)20-6-3-9-24-2/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,20,23)/b14-10-
InChIKeyMYWJWXDZDRXUOQ-UVTDQMKNSA-N
MW325.37 g/mol
LogP1.54
Rot. Bonds7

About (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide

(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 47495568) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
PubChem CID47495568
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1
InChIInChI=1S/C17H19N5O2/c1-22-12-15(16(21-22)13-4-7-19-8-5-13)10-14(11-18)17(23)20-6-3-9-24-2/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,20,23)/b14-10-
InChIKeyMYWJWXDZDRXUOQ-UVTDQMKNSA-N
XLogP1.54
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(3-methoxypropyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 4082942
(Z)-2-cyano-N-(4-methylphenyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide
CID 60582924
(E)-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 2414869
(Z)-3-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 22529236
(Z)-2-cyano-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 18806288
2-cyano-3-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]-N-(3-methoxypropyl)prop-2-enamide
CID 3265636
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
CID 6214104
(E)-2-cyano-3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6292148
2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 4562438
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 34055635

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide (CID 47495568) is (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide is COCCCNC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccncc1.
What is the InChIKey of (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is MYWJWXDZDRXUOQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22-12-15(16(21-22)13-4-7-19-8-5-13)10-14(11-18)17(23)20-6-3-9-24-2/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,20,23)/b14-10-.
What are the key properties of (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide?
(Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 325.37 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-methoxypropyl)-3-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 47495568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).