4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide

C11H12Cl2N4O — CID 112697051

IUPAC4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C11H12Cl2N4O/c1-3-6-5-14-16-10(6)15-11(18)8-4-7(12)9(13)17(8)2/h4-5H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyXCIAMTYMLSPUJZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.87
Rot. Bonds3

About 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 112697051) has the molecular formula C11H12Cl2N4O and a molecular weight of 287.15 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
PubChem CID112697051
Molecular FormulaC11H12Cl2N4O
Molecular Weight287.15 g/mol
Exact Mass286.04
IUPAC Name4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C11H12Cl2N4O/c1-3-6-5-14-16-10(6)15-11(18)8-4-7(12)9(13)17(8)2/h4-5H,3H2,1-2H3,(H2,14,15,16,18)
InChIKeyXCIAMTYMLSPUJZ-UHFFFAOYSA-N
XLogP2.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104616582
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylimidazole-4-carboxamide
CID 103862812
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(4-ethyl-1H-pyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 112697383
1-ethyl-N-(4-ethyl-1H-pyrazol-5-yl)-3-propan-2-ylpyrazole-5-carboxamide
CID 104620244
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104616606
N-(4-ethyl-1H-pyrazol-5-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 104620293
N-(4-ethyl-1H-pyrazol-5-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 103738045
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide (CID 112697051) is 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide is CCc1cn[nH]c1NC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is XCIAMTYMLSPUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O/c1-3-6-5-14-16-10(6)15-11(18)8-4-7(12)9(13)17(8)2/h4-5H,3H2,1-2H3,(H2,14,15,16,18).
What are the key properties of 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 287.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 112697051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).