1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine

C14H27N5 — CID 81474817

IUPAC1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCNCc1c(C)nn(C)c1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H27N5/c1-10-8-19(9-13(10)17(4)5)14-12(7-15-3)11(2)16-18(14)6/h10,13,15H,7-9H2,1-6H3
InChIKeyJNALZGZTXNXBMQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.83
Rot. Bonds4

About 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine

1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474817) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474817
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCNCc1c(C)nn(C)c1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C14H27N5/c1-10-8-19(9-13(10)17(4)5)14-12(7-15-3)11(2)16-18(14)6/h10,13,15H,7-9H2,1-6H3
InChIKeyJNALZGZTXNXBMQ-UHFFFAOYSA-N
XLogP0.83
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474817) is 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine is CNCc1c(C)nn(C)c1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is JNALZGZTXNXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-10-8-19(9-13(10)17(4)5)14-12(7-15-3)11(2)16-18(14)6/h10,13,15H,7-9H2,1-6H3.
What are the key properties of 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 265.40 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).