ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate

C9H11N3O2 — CID 137194912

IUPACethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2C)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-8-7(11-6)5-10-12(8)2/h4-5,11H,3H2,1-2H3
InChIKeyPXOGVQYAJQCHCB-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.08
Rot. Bonds2

About ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate

ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate (PubChem CID 137194912) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate
PubChem CID137194912
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(cnn2C)[nH]1
InChIInChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-8-7(11-6)5-10-12(8)2/h4-5,11H,3H2,1-2H3
InChIKeyPXOGVQYAJQCHCB-UHFFFAOYSA-N
XLogP1.08
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1438838
ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate
CID 11579250
Methyl 1,4-dimethylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231580
Ethyl 4-[2-(diethylamino)-2-oxoethyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1438792
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, methyl ester
CID 22281776
4-methyl-1H,4H-pyrrolo(3,2-b)pyrrole-2-carboxylic acid
CID 51000043
methyl 1H-pyrazolo[4,3-b]pyridine-5-carboxylate
CID 59763244
1,4-Dihydro-pyrrolo[3,2-c]pyrazole-5-carboxylic acid
CID 135976840
Methyl 4-(2-methoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6488326
Methyl 1-methyl-4-propylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231581
Propan-2-yl 4-(2-cyanoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6489160
Propan-2-yl 1-methyl-4-(2-oxo-2-propan-2-yloxyethyl)pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6489167

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate (CID 137194912) is ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate is CCOC(=O)c1cc2c(cnn2C)[nH]1.
What is the InChIKey of ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate?
The InChIKey is PXOGVQYAJQCHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-3-14-9(13)6-4-8-7(11-6)5-10-12(8)2/h4-5,11H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate?
ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4H-pyrrolo[2,3-d]pyrazole-5-carboxylate is sourced from PubChem (CID 137194912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).