3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid

C10H16N4O2 — CID 118961771

IUPAC3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid
SMILESCc1c(N)cnn1C1CN(C(=O)O)CC1C
InChIInChI=1S/C10H16N4O2/c1-6-4-13(10(15)16)5-9(6)14-7(2)8(11)3-12-14/h3,6,9H,4-5,11H2,1-2H3,(H,15,16)
InChIKeyQKTAXPQWXOIQOK-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.94
Rot. Bonds1

About 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid

3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid (PubChem CID 118961771) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid
PubChem CID118961771
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid
SMILESCc1c(N)cnn1C1CN(C(=O)O)CC1C
InChIInChI=1S/C10H16N4O2/c1-6-4-13(10(15)16)5-9(6)14-7(2)8(11)3-12-14/h3,6,9H,4-5,11H2,1-2H3,(H,15,16)
InChIKeyQKTAXPQWXOIQOK-UHFFFAOYSA-N
XLogP0.94
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid (CID 118961771) is 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid is Cc1c(N)cnn1C1CN(C(=O)O)CC1C.
What is the InChIKey of 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid?
The InChIKey is QKTAXPQWXOIQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-4-13(10(15)16)5-9(6)14-7(2)8(11)3-12-14/h3,6,9H,4-5,11H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid?
3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).