1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 63031207

IUPAC1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-7-11(8(2)15-14-7)13-10(17)6-16-4-3-9(5-16)12(18)19/h9H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)
InChIKeyZLQHQGVHDSVOMU-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.37
Rot. Bonds4

About 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031207) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63031207
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C12H18N4O3/c1-7-11(8(2)15-14-7)13-10(17)6-16-4-3-9(5-16)12(18)19/h9H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)
InChIKeyZLQHQGVHDSVOMU-UHFFFAOYSA-N
XLogP0.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63031207) is 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is Cc1n[nH]c(C)c1NC(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZLQHQGVHDSVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7-11(8(2)15-14-7)13-10(17)6-16-4-3-9(5-16)12(18)19/h9H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19).
What are the key properties of 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).