(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide

C18H23N3O2 — CID 55778222

IUPAC(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccnn2CCC)cc1
InChIInChI=1S/C18H23N3O2/c1-3-13-21-17(11-12-19-21)20-18(22)10-7-15-5-8-16(9-6-15)23-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22)/b10-7+
InChIKeyCVBDADXBEWIECU-JXMROGBWSA-N
MW313.40 g/mol
LogP3.73
Rot. Bonds8

About (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide

(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide (PubChem CID 55778222) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
PubChem CID55778222
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)Nc2ccnn2CCC)cc1
InChIInChI=1S/C18H23N3O2/c1-3-13-21-17(11-12-19-21)20-18(22)10-7-15-5-8-16(9-6-15)23-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22)/b10-7+
InChIKeyCVBDADXBEWIECU-JXMROGBWSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.73
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-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 18267641
(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55673218
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 55674580
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791702
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide (CID 55778222) is (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)Nc2ccnn2CCC)cc1.
What is the InChIKey of (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
The InChIKey is CVBDADXBEWIECU-JXMROGBWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-13-21-17(11-12-19-21)20-18(22)10-7-15-5-8-16(9-6-15)23-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,20,22)/b10-7+.
What are the key properties of (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide?
(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide has a molecular weight of 313.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 55778222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).