(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

C18H23N3O2 — CID 19462835

IUPAC(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1cc(C(C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C18H23N3O2/c1-5-21-12-17(14(3)20-21)13(2)19-18(22)11-8-15-6-9-16(23-4)10-7-15/h6-13H,5H2,1-4H3,(H,19,22)/b11-8+
InChIKeyKDFVVWVJWAKLNH-DHZHZOJOSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds6

About (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 19462835) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID19462835
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCn1cc(C(C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C18H23N3O2/c1-5-21-12-17(14(3)20-21)13(2)19-18(22)11-8-15-6-9-16(23-4)10-7-15/h6-13H,5H2,1-4H3,(H,19,22)/b11-8+
InChIKeyKDFVVWVJWAKLNH-DHZHZOJOSA-N
XLogP3.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19462853
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
CID 19466720
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 38018786
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 93486677
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491499
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103855852
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 19462835) is (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is CCn1cc(C(C)NC(=O)/C=C/c2ccc(OC)cc2)c(C)n1.
What is the InChIKey of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KDFVVWVJWAKLNH-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-21-12-17(14(3)20-21)13(2)19-18(22)11-8-15-6-9-16(23-4)10-7-15/h6-13H,5H2,1-4H3,(H,19,22)/b11-8+.
What are the key properties of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 19462835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).