4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

C12H19N3O2 — CID 103004815

IUPAC4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCc2cnn(C)c2)CC1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-9-6-15(8-11(9)12(16)17)4-3-10-5-13-14(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyNLZABYZMSYKBLX-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.62
Rot. Bonds4

About 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 103004815) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID103004815
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CCc2cnn(C)c2)CC1C(=O)O
InChIInChI=1S/C12H19N3O2/c1-9-6-15(8-11(9)12(16)17)4-3-10-5-13-14(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyNLZABYZMSYKBLX-UHFFFAOYSA-N
XLogP0.62
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63722146
1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 103004943
2-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxylic acid
CID 103019561
1-[4-[4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]-1,4-diazepan-1-yl]ethanone
CID 71872002
1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 124590081
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-2-carboxylic acid
CID 107072171
4-methyl-1-[(1-methyltriazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107044940
(3S,4S)-1-[3-(4-chlorophenyl)propyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120861
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]azetidin-3-ol
CID 103014043
2-[2-(1-methylpyrazol-4-yl)ethylsulfonyl]acetic acid
CID 103002757
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 103004815) is 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is CC1CN(CCc2cnn(C)c2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NLZABYZMSYKBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-6-15(8-11(9)12(16)17)4-3-10-5-13-14(2)7-10/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103004815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).