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

C13H25N5 — CID 103569603

IUPAC1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCn1cc(C(CN)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H25N5/c1-4-18-9-11(8-15-18)13(7-14)17-6-5-12(10-17)16(2)3/h8-9,12-13H,4-7,10,14H2,1-3H3
InChIKeyUSFVHBRBWIRBIO-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.54
Rot. Bonds5

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

1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 103569603) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID103569603
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCn1cc(C(CN)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H25N5/c1-4-18-9-11(8-15-18)13(7-14)17-6-5-12(10-17)16(2)3/h8-9,12-13H,4-7,10,14H2,1-3H3
InChIKeyUSFVHBRBWIRBIO-UHFFFAOYSA-N
XLogP0.54
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.54
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-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 103569603) is 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CCn1cc(C(CN)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is USFVHBRBWIRBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-18-9-11(8-15-18)13(7-14)17-6-5-12(10-17)16(2)3/h8-9,12-13H,4-7,10,14H2,1-3H3.
What are the key properties of 1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 0.54, 5 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-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 103569603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).