1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

C12H19N3O3 — CID 65063923

IUPAC1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C12H19N3O3/c1-12(11(17)18)2-3-14(9-12)7-10-6-13-15(8-10)4-5-16/h6,8,16H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyDGSFSAICHMBLKW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.17
Rot. Bonds5

About 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 65063923) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID65063923
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(Cc2cnn(CCO)c2)C1
InChIInChI=1S/C12H19N3O3/c1-12(11(17)18)2-3-14(9-12)7-10-6-13-15(8-10)4-5-16/h6,8,16H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyDGSFSAICHMBLKW-UHFFFAOYSA-N
XLogP0.17
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Ethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709096
1-[(1-Methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709648
1-[[1-(2-Hydroxyethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060765
1-[1-(1-Methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061217
1-[1-(1-Ethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065463
2,2-Dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 65247865
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103004813
1-[(1-Propylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 103573389
1-[(1-Propan-2-ylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 108388027
[(3S,4R)-1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 167780773
4-(4-methyl-1H-pyrazol-1-yl)butanoic acid
CID 19620049
Ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one
CID 144858158

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid (CID 65063923) is 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(Cc2cnn(CCO)c2)C1.
What is the InChIKey of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DGSFSAICHMBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(11(17)18)2-3-14(9-12)7-10-6-13-15(8-10)4-5-16/h6,8,16H,2-5,7,9H2,1H3,(H,17,18).
What are the key properties of 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65063923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).