(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide

C19H25N3O3 — CID 99855977

IUPAC(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
SMILESCC[C@H](NC(=O)/C=C/c1ccc(OC)c(O)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C19H25N3O3/c1-6-15(19-12(2)21-22(4)13(19)3)20-18(24)10-8-14-7-9-17(25-5)16(23)11-14/h7-11,15,23H,6H2,1-5H3,(H,20,24)/b10-8+/t15-/m0/s1
InChIKeyQERIWCZENNDHMB-HQPKTYMTSA-N
MW343.43 g/mol
LogP3.03
Rot. Bonds6

About (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide (PubChem CID 99855977) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
PubChem CID99855977
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
SMILESCC[C@H](NC(=O)/C=C/c1ccc(OC)c(O)c1)c1c(C)nn(C)c1C
InChIInChI=1S/C19H25N3O3/c1-6-15(19-12(2)21-22(4)13(19)3)20-18(24)10-8-14-7-9-17(25-5)16(23)11-14/h7-11,15,23H,6H2,1-5H3,(H,20,24)/b10-8+/t15-/m0/s1
InChIKeyQERIWCZENNDHMB-HQPKTYMTSA-N
XLogP3.03
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide
CID 127265718
2-methoxy-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 95898801
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
methyl 3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 177249023
(1E,6E)-1-(3-hydroxy-4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 68571387
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
3-(3-hydroxy-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 126801996
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297429
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-phenylprop-2-enamide
CID 133158369
(E)-3-(4-tert-butylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]prop-2-enamide
CID 133209856
2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]acetamide
CID 86789477
N-(4-ethoxy-1-methylindazol-7-yl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 67338693

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide (CID 99855977) is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide is CC[C@H](NC(=O)/C=C/c1ccc(OC)c(O)c1)c1c(C)nn(C)c1C.
What is the InChIKey of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide?
The InChIKey is QERIWCZENNDHMB-HQPKTYMTSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-6-15(19-12(2)21-22(4)13(19)3)20-18(24)10-8-14-7-9-17(25-5)16(23)11-14/h7-11,15,23H,6H2,1-5H3,(H,20,24)/b10-8+/t15-/m0/s1.
What are the key properties of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide?
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)propyl]prop-2-enamide is sourced from PubChem (CID 99855977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).