(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide

C15H13N3O2S — CID 8911594

IUPAC(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C15H13N3O2S/c19-15(6-5-12-3-1-9-20-12)17-14-7-8-16-18(14)11-13-4-2-10-21-13/h1-10H,11H2,(H,17,19)/b6-5+
InChIKeyKYQQBVMRPSSFSJ-AATRIKPKSA-N
MW299.36 g/mol
LogP3.24
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide (PubChem CID 8911594) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
PubChem CID8911594
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C15H13N3O2S/c19-15(6-5-12-3-1-9-20-12)17-14-7-8-16-18(14)11-13-4-2-10-21-13/h1-10H,11H2,(H,17,19)/b6-5+
InChIKeyKYQQBVMRPSSFSJ-AATRIKPKSA-N
XLogP3.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide (CID 8911594) is (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccnn1Cc1cccs1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide?
The InChIKey is KYQQBVMRPSSFSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-15(6-5-12-3-1-9-20-12)17-14-7-8-16-18(14)11-13-4-2-10-21-13/h1-10H,11H2,(H,17,19)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide has a molecular weight of 299.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 8911594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).