4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide

C19H20N4O3 — CID 42189621

IUPAC4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(-n2cc(NC(=O)COC)cn2)cc1
InChIInChI=1S/C19H20N4O3/c1-4-10-22(11-5-2)19(25)15-6-8-17(9-7-15)23-13-16(12-20-23)21-18(24)14-26-3/h1,5-9,12-13H,2,10-11,14H2,3H3,(H,21,24)
InChIKeyCGKKDQNFKAIBOK-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.72
Rot. Bonds8

About 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide

4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide (PubChem CID 42189621) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide
PubChem CID42189621
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(-n2cc(NC(=O)COC)cn2)cc1
InChIInChI=1S/C19H20N4O3/c1-4-10-22(11-5-2)19(25)15-6-8-17(9-7-15)23-13-16(12-20-23)21-18(24)14-26-3/h1,5-9,12-13H,2,10-11,14H2,3H3,(H,21,24)
InChIKeyCGKKDQNFKAIBOK-UHFFFAOYSA-N
XLogP1.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-[4-[prop-2-enyl(prop-2-ynyl)carbamoyl]phenyl]-N-prop-2-ynylbenzamide
CID 66573946
2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 26353881
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 25296478
N-[1-(2-aminoethyl)pyrazol-4-yl]-2-methoxyacetamide
CID 73440703
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
N-[1-[4-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]oxane-4-carboxamide
CID 45200035
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-but-2-ynyl-4-hydroxy-N-prop-2-enylbenzamide
CID 102438854
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848803
4-(4-cyano-2-methoxyphenoxy)-N-(1-phenylpyrazol-4-yl)butanamide
CID 60590949

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide?
The IUPAC name of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide (CID 42189621) is 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide is C#CCN(CC=C)C(=O)c1ccc(-n2cc(NC(=O)COC)cn2)cc1.
What is the InChIKey of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide?
The InChIKey is CGKKDQNFKAIBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-10-22(11-5-2)19(25)15-6-8-17(9-7-15)23-13-16(12-20-23)21-18(24)14-26-3/h1,5-9,12-13H,2,10-11,14H2,3H3,(H,21,24).
What are the key properties of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide?
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-prop-2-enyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 42189621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).