methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate

C16H16N4O3S — CID 52719432

IUPACmethyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1C
InChIInChI=1S/C16H16N4O3S/c1-8-13(16(22)23-3)9(2)17-14(8)15(21)18-12-7-10(19-20-12)11-5-4-6-24-11/h4-7,17H,1-3H3,(H2,18,19,20,21)
InChIKeyMVZVCAXKENNOSD-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.12
Rot. Bonds4

About methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 52719432) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID52719432
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Namemethyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1C
InChIInChI=1S/C16H16N4O3S/c1-8-13(16(22)23-3)9(2)17-14(8)15(21)18-12-7-10(19-20-12)11-5-4-6-24-11/h4-7,17H,1-3H3,(H2,18,19,20,21)
InChIKeyMVZVCAXKENNOSD-UHFFFAOYSA-N
XLogP3.12
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47343826
methyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34552152
methyl 2,4-dimethyl-5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 51575049
3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 55977222
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
methyl 2,4-dimethyl-5-[(3-methyl-2-pyridinyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 18106984
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
2-ethyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47429703
methyl 2,4-dimethyl-5-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46602095
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pentanamide
CID 47343840
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63049730
methyl 2,4-dimethyl-5-[(3-methylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17463841

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 52719432) is methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is MVZVCAXKENNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-8-13(16(22)23-3)9(2)17-14(8)15(21)18-12-7-10(19-20-12)11-5-4-6-24-11/h4-7,17H,1-3H3,(H2,18,19,20,21).
What are the key properties of methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 52719432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).