(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide

C17H20N4O2 — CID 97359500

IUPAC(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
SMILESCCCn1cc(NC(=O)/C=C\c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C17H20N4O2/c1-3-10-21-12-16(11-18-21)20-17(23)9-6-14-4-7-15(8-5-14)19-13(2)22/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)(H,20,23)/b9-6-
InChIKeyDGTDCSZRFWBTDT-TWGQIWQCSA-N
MW312.37 g/mol
LogP2.90
Rot. Bonds6

About (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide

(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide (PubChem CID 97359500) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
PubChem CID97359500
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
SMILESCCCn1cc(NC(=O)/C=C\c2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C17H20N4O2/c1-3-10-21-12-16(11-18-21)20-17(23)9-6-14-4-7-15(8-5-14)19-13(2)22/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)(H,20,23)/b9-6-
InChIKeyDGTDCSZRFWBTDT-TWGQIWQCSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51098152
4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]pyrazol-1-yl]butanoate
CID 7309764
(E)-3-(4-fluorophenyl)-N-[1-(methoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19410926
(E)-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19340489
1-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973540
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
(E)-3-(4-acetamidophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]prop-2-enamide
CID 46537448
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(4-acetamidophenyl)-N-(3-butoxypropyl)prop-2-enamide
CID 31255727
(E)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19404843
(E)-3-(4-aminophenyl)-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 116605618
(E)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 6085616

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide (CID 97359500) is (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide is CCCn1cc(NC(=O)/C=C\c2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide?
The InChIKey is DGTDCSZRFWBTDT-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-10-21-12-16(11-18-21)20-17(23)9-6-14-4-7-15(8-5-14)19-13(2)22/h4-9,11-12H,3,10H2,1-2H3,(H,19,22)(H,20,23)/b9-6-.
What are the key properties of (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide?
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide has a molecular weight of 312.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 97359500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).