1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid

C11H17N3O2 — CID 115093232

IUPAC1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
SMILESCn1nc(CCN2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-13-10(11(15)16)8-9(12-13)4-7-14-5-2-3-6-14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyUNAHWIDGBAHOIA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.76
Rot. Bonds4

About 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid

1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid (PubChem CID 115093232) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
PubChem CID115093232
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
SMILESCn1nc(CCN2CCCC2)cc1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-13-10(11(15)16)8-9(12-13)4-7-14-5-2-3-6-14/h8H,2-7H2,1H3,(H,15,16)
InChIKeyUNAHWIDGBAHOIA-UHFFFAOYSA-N
XLogP0.76
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-methyl-3-[(1-methylpiperidin-2-yl)methyl]pyrazole-5-carboxylic acid
CID 115092798
1-methyl-3-(sulfanylmethyl)pyrazole-5-carboxylic acid
CID 117215995
1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid
CID 71071573
1-methyl-3-(thian-4-ylmethyl)pyrazole-5-carboxylic acid
CID 115092425
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
1-methyl-3-(propan-2-ylsulfonylmethyl)pyrazole-5-carboxylic acid
CID 117215953
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxylic acid
CID 83823040
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
1-methyl-3-propyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
CID 72917154
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid (CID 115093232) is 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid is Cn1nc(CCN2CCCC2)cc1C(=O)O.
What is the InChIKey of 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid?
The InChIKey is UNAHWIDGBAHOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-10(11(15)16)8-9(12-13)4-7-14-5-2-3-6-14/h8H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid?
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 115093232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).