5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid

C13H22N4O2 — CID 55241724

IUPAC5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCN1CCC(CNc2c(C(=O)O)c(C)nn2C)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-6-5-10(8-17)7-14-12-11(13(18)19)9(2)15-16(12)3/h10,14H,4-8H2,1-3H3,(H,18,19)
InChIKeyPLBAJCHWXOURSE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds5

About 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 55241724) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID55241724
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCN1CCC(CNc2c(C(=O)O)c(C)nn2C)C1
InChIInChI=1S/C13H22N4O2/c1-4-17-6-5-10(8-17)7-14-12-11(13(18)19)9(2)15-16(12)3/h10,14H,4-8H2,1-3H3,(H,18,19)
InChIKeyPLBAJCHWXOURSE-UHFFFAOYSA-N
XLogP1.18
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-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-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62709953
5-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63897507
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
5-(1-cyclopropylbutan-2-ylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63995405
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
1-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-methylpyrazole-4-sulfonamide
CID 95226625
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241149
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 95126845

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 55241724) is 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid is CCN1CCC(CNc2c(C(=O)O)c(C)nn2C)C1.
What is the InChIKey of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is PLBAJCHWXOURSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-17-6-5-10(8-17)7-14-12-11(13(18)19)9(2)15-16(12)3/h10,14H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55241724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).