1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C13H25N5 — CID 83089837

IUPAC1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1nn(C)cc1C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C13H25N5/c1-10-12(9-17(4)15-10)13(7-14)18-6-5-11(8-18)16(2)3/h9,11,13H,5-8,14H2,1-4H3
InChIKeyBZWRQYNISQKGJR-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.36
Rot. Bonds4

About 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 83089837) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID83089837
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCc1nn(C)cc1C(CN)N1CCC(N(C)C)C1
InChIInChI=1S/C13H25N5/c1-10-12(9-17(4)15-10)13(7-14)18-6-5-11(8-18)16(2)3/h9,11,13H,5-8,14H2,1-4H3
InChIKeyBZWRQYNISQKGJR-UHFFFAOYSA-N
XLogP0.36
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 83089837) is 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is Cc1nn(C)cc1C(CN)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BZWRQYNISQKGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-12(9-17(4)15-10)13(7-14)18-6-5-11(8-18)16(2)3/h9,11,13H,5-8,14H2,1-4H3.
What are the key properties of 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(1,3-dimethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 83089837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).