5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole

C11H18ClN3 — CID 61224422

IUPAC5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)C1
InChIInChI=1S/C11H18ClN3/c1-8-4-5-15(6-8)7-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyMDOVMIGRAWEMEZ-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.22
Rot. Bonds2

About 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole

5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole (PubChem CID 61224422) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
PubChem CID61224422
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(Cl)c1CN1CCC(C)C1
InChIInChI=1S/C11H18ClN3/c1-8-4-5-15(6-8)7-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3
InChIKeyMDOVMIGRAWEMEZ-UHFFFAOYSA-N
XLogP2.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole (CID 61224422) is 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole is Cc1nn(C)c(Cl)c1CN1CCC(C)C1.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole?
The InChIKey is MDOVMIGRAWEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8-4-5-15(6-8)7-10-9(2)13-14(3)11(10)12/h8H,4-7H2,1-3H3.
What are the key properties of 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole?
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole has a molecular weight of 227.74 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 61224422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).