N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide

C15H18N4O — CID 90333819

IUPACN-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(CCc2cnn(C)c2)ccc1N
InChIInChI=1S/C15H18N4O/c1-3-15(20)18-14-8-11(6-7-13(14)16)4-5-12-9-17-19(2)10-12/h3,6-10H,1,4-5,16H2,2H3,(H,18,20)
InChIKeyYZRVZCODUYNIFI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.91
Rot. Bonds5

About N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide

N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide (PubChem CID 90333819) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide
PubChem CID90333819
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(CCc2cnn(C)c2)ccc1N
InChIInChI=1S/C15H18N4O/c1-3-15(20)18-14-8-11(6-7-13(14)16)4-5-12-9-17-19(2)10-12/h3,6-10H,1,4-5,16H2,2H3,(H,18,20)
InChIKeyYZRVZCODUYNIFI-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[[4-amino-3-(prop-2-enoylamino)phenyl]methyl]piperazine-1-carboxylate
CID 90333983
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
N-[3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-(methylsulfonylmethyl)phenyl]prop-2-enamide
CID 140772783
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
1-(2-amino-5-bromophenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 82703777
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
4-amino-N-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80681461
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide (CID 90333819) is N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(CCc2cnn(C)c2)ccc1N.
What is the InChIKey of N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide?
The InChIKey is YZRVZCODUYNIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-15(20)18-14-8-11(6-7-13(14)16)4-5-12-9-17-19(2)10-12/h3,6-10H,1,4-5,16H2,2H3,(H,18,20).
What are the key properties of N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide?
N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide has a molecular weight of 270.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[2-(1-methylpyrazol-4-yl)ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 90333819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).