methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate

C18H24ClN5O2 — CID 167815516

IUPACmethyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC2c2c(C)nn(CC(C)C)c2Cl)n1
InChIInChI=1S/C18H24ClN5O2/c1-11(2)10-24-17(19)16(12(3)22-24)14-6-5-7-23(14)15-9-20-8-13(21-15)18(25)26-4/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyMLTOHYNRSNUHGH-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.42
Rot. Bonds5

About methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate

methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate (PubChem CID 167815516) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
PubChem CID167815516
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Namemethyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N2CCCC2c2c(C)nn(CC(C)C)c2Cl)n1
InChIInChI=1S/C18H24ClN5O2/c1-11(2)10-24-17(19)16(12(3)22-24)14-6-5-7-23(14)15-9-20-8-13(21-15)18(25)26-4/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeyMLTOHYNRSNUHGH-UHFFFAOYSA-N
XLogP3.42
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate 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 methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate (CID 167815516) is methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1cncc(N2CCCC2c2c(C)nn(CC(C)C)c2Cl)n1.
What is the InChIKey of methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is MLTOHYNRSNUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-11(2)10-24-17(19)16(12(3)22-24)14-6-5-7-23(14)15-9-20-8-13(21-15)18(25)26-4/h8-9,11,14H,5-7,10H2,1-4H3.
What are the key properties of methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate?
methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 377.88 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]pyrrolidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 167815516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).