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

C10H15N3O2 — CID 82868830

IUPAC1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CN2CCCC2C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-12-6-4-8(11-12)7-13-5-2-3-9(13)10(14)15/h4,6,9H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySULVNWDFFIRMSO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.47
Rot. Bonds3

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

1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 82868830) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID82868830
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CN2CCCC2C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-12-6-4-8(11-12)7-13-5-2-3-9(13)10(14)15/h4,6,9H,2-3,5,7H2,1H3,(H,14,15)
InChIKeySULVNWDFFIRMSO-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829
(2R)-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913872
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64784233
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82470543
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 43441270
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 82868830) is 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is Cn1ccc(CN2CCCC2C(=O)O)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SULVNWDFFIRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-6-4-8(11-12)7-13-5-2-3-9(13)10(14)15/h4,6,9H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82868830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).