4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide

C10H11Cl2N5O2 — CID 104817061

IUPAC4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C10H11Cl2N5O2/c1-3-19-10-14-9(15-16-10)13-8(18)6-4-5(11)7(12)17(6)2/h4H,3H2,1-2H3,(H2,13,14,15,16,18)
InChIKeyKDCJCBHZSGNTFL-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.10
Rot. Bonds4

About 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 104817061) has the molecular formula C10H11Cl2N5O2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
PubChem CID104817061
Molecular FormulaC10H11Cl2N5O2
Molecular Weight304.14 g/mol
Exact Mass303.03
IUPAC Name4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C10H11Cl2N5O2/c1-3-19-10-14-9(15-16-10)13-8(18)6-4-5(11)7(12)17(6)2/h4H,3H2,1-2H3,(H2,13,14,15,16,18)
InChIKeyKDCJCBHZSGNTFL-UHFFFAOYSA-N
XLogP2.10
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-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

4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 113456488
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104817829
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-iodo-2-methoxybenzamide
CID 104817412
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-nitrobenzamide
CID 104817535
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide (CID 104817061) is 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cc(Cl)c(Cl)n2C)n1.
What is the InChIKey of 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is KDCJCBHZSGNTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N5O2/c1-3-19-10-14-9(15-16-10)13-8(18)6-4-5(11)7(12)17(6)2/h4H,3H2,1-2H3,(H2,13,14,15,16,18).
What are the key properties of 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 304.14 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 104817061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).