N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C17H16N4OS — CID 171140268

IUPACN-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(-c2ccccn2)cc1CNC(=O)C=Cc1cccs1
InChIInChI=1S/C17H16N4OS/c1-21-13(11-16(20-21)15-6-2-3-9-18-15)12-19-17(22)8-7-14-5-4-10-23-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyYFYMNIIGDRAXAH-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.87
Rot. Bonds5

About N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide

N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 171140268) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID171140268
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1nc(-c2ccccn2)cc1CNC(=O)C=Cc1cccs1
InChIInChI=1S/C17H16N4OS/c1-21-13(11-16(20-21)15-6-2-3-9-18-15)12-19-17(22)8-7-14-5-4-10-23-14/h2-11H,12H2,1H3,(H,19,22)
InChIKeyYFYMNIIGDRAXAH-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.87
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

(E)-3-(2-methylphenyl)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 121020018
N-(pyridin-4-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 4165696
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
(E)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 71797297
N-[(6-methyl-2-pyridinyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 103598251
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 171136734
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641
2-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457459
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 171140268) is N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide is Cn1nc(-c2ccccn2)cc1CNC(=O)C=Cc1cccs1.
What is the InChIKey of N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YFYMNIIGDRAXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-21-13(11-16(20-21)15-6-2-3-9-18-15)12-19-17(22)8-7-14-5-4-10-23-14/h2-11H,12H2,1H3,(H,19,22).
What are the key properties of N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 324.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-2-ylpyrazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 171140268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).