3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate

C10H10N3O2- — CID 152832784

IUPAC3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate
SMILESCc1nn(C)cc1C1=CC(C(=O)[O-])=NC1
InChIInChI=1S/C10H11N3O2/c1-6-8(5-13(2)12-6)7-3-9(10(14)15)11-4-7/h3,5H,4H2,1-2H3,(H,14,15)/p-1
InChIKeySWOBQJYNTXTSNE-UHFFFAOYSA-M
MW204.21 g/mol
LogP-0.68
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate

3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate (PubChem CID 152832784) has the molecular formula C10H10N3O2- and a molecular weight of 204.21 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate
PubChem CID152832784
Molecular FormulaC10H10N3O2-
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate
SMILESCc1nn(C)cc1C1=CC(C(=O)[O-])=NC1
InChIInChI=1S/C10H11N3O2/c1-6-8(5-13(2)12-6)7-3-9(10(14)15)11-4-7/h3,5H,4H2,1-2H3,(H,14,15)/p-1
InChIKeySWOBQJYNTXTSNE-UHFFFAOYSA-M
XLogP-0.68
TPSA70.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
CID 144733159
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
2-[3-(1,3-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621295
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 102802256
1-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
CID 65194405
3-(1,3-dimethylpyrazol-4-yl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 65197494
3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
CID 83094155
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
CID 176976548
methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 83090537

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate (CID 152832784) is 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate is Cc1nn(C)cc1C1=CC(C(=O)[O-])=NC1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate?
The InChIKey is SWOBQJYNTXTSNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11N3O2/c1-6-8(5-13(2)12-6)7-3-9(10(14)15)11-4-7/h3,5H,4H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate?
3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate has a molecular weight of 204.21 g/mol, XLogP of -0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-2H-pyrrole-5-carboxylate is sourced from PubChem (CID 152832784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).