5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole

C12H20ClN3 — CID 71756122

IUPAC5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1
InChIInChI=1S/C12H20ClN3/c1-8(2)7-16-12(13)11(9(3)15-16)10-5-4-6-14-10/h8,10,14H,4-7H2,1-3H3
InChIKeyHZRKIQZSTBBORH-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.93
Rot. Bonds3

About 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole

5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole (PubChem CID 71756122) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
PubChem CID71756122
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
SMILESCc1nn(CC(C)C)c(Cl)c1C1CCCN1
InChIInChI=1S/C12H20ClN3/c1-8(2)7-16-12(13)11(9(3)15-16)10-5-4-6-14-10/h8,10,14H,4-7H2,1-3H3
InChIKeyHZRKIQZSTBBORH-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole (CID 71756122) is 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole is Cc1nn(CC(C)C)c(Cl)c1C1CCCN1.
What is the InChIKey of 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
The InChIKey is HZRKIQZSTBBORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-8(2)7-16-12(13)11(9(3)15-16)10-5-4-6-14-10/h8,10,14H,4-7H2,1-3H3.
What are the key properties of 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole?
5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole has a molecular weight of 241.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 71756122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).