1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine

C13H23N5 — CID 63171536

IUPAC1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C13H23N5/c14-12-9-15-18(10-12)8-7-16-6-3-13(11-16)17-4-1-2-5-17/h9-10,13H,1-8,11,14H2
InChIKeyCVBWMPWMSCMKCC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.64
Rot. Bonds4

About 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine

1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine (PubChem CID 63171536) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
PubChem CID63171536
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
SMILESNc1cnn(CCN2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C13H23N5/c14-12-9-15-18(10-12)8-7-16-6-3-13(11-16)17-4-1-2-5-17/h9-10,13H,1-8,11,14H2
InChIKeyCVBWMPWMSCMKCC-UHFFFAOYSA-N
XLogP0.64
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine (CID 63171536) is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine is Nc1cnn(CCN2CCC(N3CCCC3)C2)c1.
What is the InChIKey of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is CVBWMPWMSCMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c14-12-9-15-18(10-12)8-7-16-6-3-13(11-16)17-4-1-2-5-17/h9-10,13H,1-8,11,14H2.
What are the key properties of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine?
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 63171536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).