2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid

C11H17N3O2 — CID 105480535

IUPAC2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)cnn1C1CCCN1C
InChIInChI=1S/C11H17N3O2/c1-8-9(6-11(15)16)7-12-14(8)10-4-3-5-13(10)2/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyQVEDJKSNRMDQJP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.04
Rot. Bonds3

About 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid

2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid (PubChem CID 105480535) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid
PubChem CID105480535
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)cnn1C1CCCN1C
InChIInChI=1S/C11H17N3O2/c1-8-9(6-11(15)16)7-12-14(8)10-4-3-5-13(10)2/h7,10H,3-6H2,1-2H3,(H,15,16)
InChIKeyQVEDJKSNRMDQJP-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]ethanol
CID 105463332
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
4-hydroxy-1-(1-methylpyrrolidin-2-yl)pyrazole-5-carboxylic acid
CID 117232156
2-[5-methyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]ethanol
CID 105481090
2-[4-(1-methylpyrrolidin-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115035664
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
CID 115035957
cis-(1R,2S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1257858
4-[(cyclopentylamino)methyl]-1-ethylpyrazole-5-carboxylic acid
CID 117216786
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
2-[4-methyl-2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenyl]acetic acid
CID 146175407

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid (CID 105480535) is 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)cnn1C1CCCN1C.
What is the InChIKey of 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid?
The InChIKey is QVEDJKSNRMDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(6-11(15)16)7-12-14(8)10-4-3-5-13(10)2/h7,10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid?
2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 105480535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).