(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide

C14H16N4O — CID 106212830

IUPAC(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(N)cc1)c1cn[nH]c1
InChIInChI=1S/C14H16N4O/c1-10(12-8-16-17-9-12)18-14(19)7-4-11-2-5-13(15)6-3-11/h2-10H,15H2,1H3,(H,16,17)(H,18,19)/b7-4+
InChIKeyKIZFEMIADVBCEF-QPJJXVBHSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide

(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide (PubChem CID 106212830) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
PubChem CID106212830
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(N)cc1)c1cn[nH]c1
InChIInChI=1S/C14H16N4O/c1-10(12-8-16-17-9-12)18-14(19)7-4-11-2-5-13(15)6-3-11/h2-10H,15H2,1H3,(H,16,17)(H,18,19)/b7-4+
InChIKeyKIZFEMIADVBCEF-QPJJXVBHSA-N
XLogP1.88
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103855852
(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 103855933
(E)-3-(2,4-dimethylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856185
(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774
methyl (2S)-2-[[(E)-3-(4-aminophenyl)prop-2-enoyl]amino]propanoate
CID 115343095
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856027
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]prop-2-enamide
CID 115344795
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide (CID 106212830) is (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccc(N)cc1)c1cn[nH]c1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
The InChIKey is KIZFEMIADVBCEF-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(12-8-16-17-9-12)18-14(19)7-4-11-2-5-13(15)6-3-11/h2-10H,15H2,1H3,(H,16,17)(H,18,19)/b7-4+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide?
(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide has a molecular weight of 256.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 106212830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).