5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole

C9H14ClN3 — CID 71758738

IUPAC5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole
SMILESCc1nn(C)c(Cl)c1C1CCCN1
InChIInChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3
InChIKeyHNVLVORHMBKFKO-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole

5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole (PubChem CID 71758738) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole
PubChem CID71758738
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole
SMILESCc1nn(C)c(Cl)c1C1CCCN1
InChIInChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3
InChIKeyHNVLVORHMBKFKO-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole (CID 71758738) is 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole is Cc1nn(C)c(Cl)c1C1CCCN1.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole?
The InChIKey is HNVLVORHMBKFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-6-8(7-4-3-5-11-7)9(10)13(2)12-6/h7,11H,3-5H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole?
5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole has a molecular weight of 199.68 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 71758738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).