(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

C16H21N3O3 — CID 120979141

IUPAC(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1C1CC1
InChIInChI=1S/C16H21N3O3/c1-18-14(10-4-5-10)11(6-17-18)15(20)19-7-12(9-2-3-9)13(8-19)16(21)22/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,21,22)/t12-,13+/m1/s1
InChIKeyWLQHNSOQJDOMEF-OLZOCXBDSA-N
MW303.36 g/mol
LogP1.48
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 120979141) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID120979141
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1C1CC1
InChIInChI=1S/C16H21N3O3/c1-18-14(10-4-5-10)11(6-17-18)15(20)19-7-12(9-2-3-9)13(8-19)16(21)22/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,21,22)/t12-,13+/m1/s1
InChIKeyWLQHNSOQJDOMEF-OLZOCXBDSA-N
XLogP1.48
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid (CID 120979141) is (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is Cn1ncc(C(=O)N2C[C@H](C(=O)O)[C@@H](C3CC3)C2)c1C1CC1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WLQHNSOQJDOMEF-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18-14(10-4-5-10)11(6-17-18)15(20)19-7-12(9-2-3-9)13(8-19)16(21)22/h6,9-10,12-13H,2-5,7-8H2,1H3,(H,21,22)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120979141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).