(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide

C17H16N4O2 — CID 126852832

IUPAC(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCn1cc(-c2cccnc2)cn1
InChIInChI=1S/C17H16N4O2/c22-17(6-5-16-4-2-10-23-16)19-8-9-21-13-15(12-20-21)14-3-1-7-18-11-14/h1-7,10-13H,8-9H2,(H,19,22)/b6-5+
InChIKeyUXZYZFJNUPEFCX-AATRIKPKSA-N
MW308.34 g/mol
LogP2.37
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide (PubChem CID 126852832) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
PubChem CID126852832
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCn1cc(-c2cccnc2)cn1
InChIInChI=1S/C17H16N4O2/c22-17(6-5-16-4-2-10-23-16)19-8-9-21-13-15(12-20-21)14-3-1-7-18-11-14/h1-7,10-13H,8-9H2,(H,19,22)/b6-5+
InChIKeyUXZYZFJNUPEFCX-AATRIKPKSA-N
XLogP2.37
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.37
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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Related Compounds

3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
CID 171137175
(E)-3-(furan-2-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 119105079
(E)-3-(furan-2-yl)-N-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]prop-2-enamide
CID 155801051
(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126854930
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]prop-2-enamide
CID 75534038
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102927
3-(furan-2-yl)-N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]prop-2-enamide
CID 91939214
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide (CID 126852832) is (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccco1)NCCn1cc(-c2cccnc2)cn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is UXZYZFJNUPEFCX-AATRIKPKSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(6-5-16-4-2-10-23-16)19-8-9-21-13-15(12-20-21)14-3-1-7-18-11-14/h1-7,10-13H,8-9H2,(H,19,22)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[2-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.37, 6 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-(4-pyridin-3-ylpyrazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 126852832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).