5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid

C14H19N3O2 — CID 126504480

IUPAC5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCCc1cnn(C)c1-c1cc(C(=O)O)n(C)c1CC
InChIInChI=1S/C14H19N3O2/c1-5-9-8-15-17(4)13(9)10-7-12(14(18)19)16(3)11(10)6-2/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyUNBVHBYXHJESCJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.25
Rot. Bonds4

About 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid

5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 126504480) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid
PubChem CID126504480
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid
SMILESCCc1cnn(C)c1-c1cc(C(=O)O)n(C)c1CC
InChIInChI=1S/C14H19N3O2/c1-5-9-8-15-17(4)13(9)10-7-12(14(18)19)16(3)11(10)6-2/h7-8H,5-6H2,1-4H3,(H,18,19)
InChIKeyUNBVHBYXHJESCJ-UHFFFAOYSA-N
XLogP2.25
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
4-(4-bromo-1-methylpyrazol-5-yl)-3-propylbenzoic acid
CID 118408889
2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
5-(2,4-dichloro-6-methylphenyl)-4-ethyl-1-methylpyrazole
CID 67481203
4-ethyl-1-methylpyrazol-5-amine
CID 22456644
1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-iodopyrrole-2-carboxylic acid
CID 106038920
4-(4-chloro-1-methylpyrazol-5-yl)-5-ethyl-N-[(3R)-4-(3-fluorocyclopentyl)piperidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 129047706
7-ethyl-1-methylindazole-4-carboxylic acid
CID 142441366
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
CID 19374234

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid (CID 126504480) is 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid is CCc1cnn(C)c1-c1cc(C(=O)O)n(C)c1CC.
What is the InChIKey of 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is UNBVHBYXHJESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-9-8-15-17(4)13(9)10-7-12(14(18)19)16(3)11(10)6-2/h7-8H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid?
5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-ethyl-1-methylpyrazol-5-yl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 126504480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).