N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide

C17H18N4O2 — CID 166420877

IUPACN-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide
SMILESC=CCn1cc(NC(=O)Cc2ccccc2NC(=O)C=C)cn1
InChIInChI=1S/C17H18N4O2/c1-3-9-21-12-14(11-18-21)19-17(23)10-13-7-5-6-8-15(13)20-16(22)4-2/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,22)
InChIKeyCNXZQGRPEISALW-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide

N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide (PubChem CID 166420877) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide
PubChem CID166420877
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide
SMILESC=CCn1cc(NC(=O)Cc2ccccc2NC(=O)C=C)cn1
InChIInChI=1S/C17H18N4O2/c1-3-9-21-12-14(11-18-21)19-17(23)10-13-7-5-6-8-15(13)20-16(22)4-2/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,22)
InChIKeyCNXZQGRPEISALW-UHFFFAOYSA-N
XLogP2.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420706
N-[2-[2-[4-(2-methoxyphenoxy)anilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420737
N-[2-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420765
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
N-(2-tridecylphenyl)prop-2-enamide
CID 175316873
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
3-[[2-[2-(prop-2-enoylamino)phenyl]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166420789
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
N-(1-ethylpyrazol-4-yl)-2-(prop-2-enylamino)acetamide
CID 79285076
2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 42471191
N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
CID 167992796

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide (CID 166420877) is N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide is C=CCn1cc(NC(=O)Cc2ccccc2NC(=O)C=C)cn1.
What is the InChIKey of N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide?
The InChIKey is CNXZQGRPEISALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-9-21-12-14(11-18-21)19-17(23)10-13-7-5-6-8-15(13)20-16(22)4-2/h3-8,11-12H,1-2,9-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide?
N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[(1-prop-2-enylpyrazol-4-yl)amino]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).