(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride

C16H25ClN4O4 — CID 68984852

IUPAC(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cc(C2CC2)nn1CC[C@@H]1CN(C(=O)O)CCN1.Cl
InChIInChI=1S/C16H24N4O4.ClH/c1-2-24-15(21)14-9-13(11-3-4-11)18-20(14)7-5-12-10-19(16(22)23)8-6-17-12;/h9,11-12,17H,2-8,10H2,1H3,(H,22,23);1H/t12-;/m1./s1
InChIKeyMDAKMJCNRHCQER-UTONKHPSSA-N
MW372.85 g/mol
LogP1.70
Rot. Bonds6

About (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride

(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride (PubChem CID 68984852) has the molecular formula C16H25ClN4O4 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
PubChem CID68984852
Molecular FormulaC16H25ClN4O4
Molecular Weight372.85 g/mol
Exact Mass372.16
IUPAC Name(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cc(C2CC2)nn1CC[C@@H]1CN(C(=O)O)CCN1.Cl
InChIInChI=1S/C16H24N4O4.ClH/c1-2-24-15(21)14-9-13(11-3-4-11)18-20(14)7-5-12-10-19(16(22)23)8-6-17-12;/h9,11-12,17H,2-8,10H2,1H3,(H,22,23);1H/t12-;/m1./s1
InChIKeyMDAKMJCNRHCQER-UTONKHPSSA-N
XLogP1.70
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride 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)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride?
The IUPAC name of (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride (CID 68984852) is (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride?
The canonical SMILES for (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride is CCOC(=O)c1cc(C2CC2)nn1CC[C@@H]1CN(C(=O)O)CCN1.Cl.
What is the InChIKey of (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride?
The InChIKey is MDAKMJCNRHCQER-UTONKHPSSA-N. The full InChI is InChI=1S/C16H24N4O4.ClH/c1-2-24-15(21)14-9-13(11-3-4-11)18-20(14)7-5-12-10-19(16(22)23)8-6-17-12;/h9,11-12,17H,2-8,10H2,1H3,(H,22,23);1H/t12-;/m1./s1.
What are the key properties of (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride?
(3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-cyclopropyl-5-ethoxycarbonylpyrazol-1-yl)ethyl]piperazine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 68984852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).