N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

C24H24N6O2 — CID 103599366

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)NCCc2nncn2C2CC2)o1
InChIInChI=1S/C24H24N6O2/c1-17-7-11-21(32-17)24-18(15-30(28-24)20-5-3-2-4-6-20)8-12-23(31)25-14-13-22-27-26-16-29(22)19-9-10-19/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,25,31)
InChIKeyKTNLLTYLFMYKBV-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.74
Rot. Bonds8

About N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 103599366) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID103599366
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)NCCc2nncn2C2CC2)o1
InChIInChI=1S/C24H24N6O2/c1-17-7-11-21(32-17)24-18(15-30(28-24)20-5-3-2-4-6-20)8-12-23(31)25-14-13-22-27-26-16-29(22)19-9-10-19/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,25,31)
InChIKeyKTNLLTYLFMYKBV-UHFFFAOYSA-N
XLogP3.74
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 36842749
(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 86904126
[1-oxo-1-(propylamino)propan-2-yl] (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 55417018
N-(2-acetamidoethyl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 76857055
(2-oxooxolan-3-yl) (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 75364988
ethyl 4-[[2-[(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoyl]oxyacetyl]amino]butanoate
CID 30551472
3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-(1,4-thiazepan-4-yl)prop-2-en-1-one
CID 71886308
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
N-(2-phenylethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 4022012
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 103599366) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)NCCc2nncn2C2CC2)o1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is KTNLLTYLFMYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-7-11-21(32-17)24-18(15-30(28-24)20-5-3-2-4-6-20)8-12-23(31)25-14-13-22-27-26-16-29(22)19-9-10-19/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,25,31).
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 428.50 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 103599366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).