4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

C11H17N3O2 — CID 63722146

IUPAC4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2cnn(C)c2)CC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-8-4-14(7-10(8)11(15)16)6-9-3-12-13(2)5-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyQXAPMCUQEZWVIL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.57
Rot. Bonds3

About 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63722146) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63722146
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(Cc2cnn(C)c2)CC1C(=O)O
InChIInChI=1S/C11H17N3O2/c1-8-4-14(7-10(8)11(15)16)6-9-3-12-13(2)5-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyQXAPMCUQEZWVIL-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 103004815
2-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64616119
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
3-chloro-5-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 131002547
1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063506
(3S,4S)-1-[(4-carbamoylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086271
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
1-[(3-chloro-4-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 81155927
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 129446266

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 63722146) is 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is CC1CN(Cc2cnn(C)c2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is QXAPMCUQEZWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-14(7-10(8)11(15)16)6-9-3-12-13(2)5-9/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63722146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).