4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide

C18H21N5O3 — CID 138042586

IUPAC4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2nc(-c3ccco3)n[nH]2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H21N5O3/c1-4-12-15(11(3)24)10(2)20-16(12)18(25)19-8-7-14-21-17(23-22-14)13-6-5-9-26-13/h5-6,9,20H,4,7-8H2,1-3H3,(H,19,25)(H,21,22,23)
InChIKeyDOBKABZEMHBQKP-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.44
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 138042586) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID138042586
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2nc(-c3ccco3)n[nH]2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C18H21N5O3/c1-4-12-15(11(3)24)10(2)20-16(12)18(25)19-8-7-14-21-17(23-22-14)13-6-5-9-26-13/h5-6,9,20H,4,7-8H2,1-3H3,(H,19,25)(H,21,22,23)
InChIKeyDOBKABZEMHBQKP-UHFFFAOYSA-N
XLogP2.44
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(2-methoxyethyl)guanidine
CID 111758482
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
CID 75364800
1-ethyl-2-(furan-2-ylmethyl)-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine
CID 111758412
4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 55931420
ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
CID 18801946
2-cycloheptyloxy-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]propanamide
CID 75380704
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170
1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111762031
1-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-3-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea
CID 86974666
1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111979911
1-ethyl-3-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(2-phenylpropyl)guanidine
CID 111766183

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 138042586) is 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCCc2nc(-c3ccco3)n[nH]2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is DOBKABZEMHBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-4-12-15(11(3)24)10(2)20-16(12)18(25)19-8-7-14-21-17(23-22-14)13-6-5-9-26-13/h5-6,9,20H,4,7-8H2,1-3H3,(H,19,25)(H,21,22,23).
What are the key properties of 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 138042586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).