1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine

C10H18N4 — CID 82400789

IUPAC1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1ccnn1C)N1CCC(N)C1
InChIInChI=1S/C10H18N4/c1-8(10-3-5-12-13(10)2)14-6-4-9(11)7-14/h3,5,8-9H,4,6-7,11H2,1-2H3
InChIKeyFLMQGBSGGSOPSE-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds2

About 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine

1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine (PubChem CID 82400789) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
PubChem CID82400789
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1ccnn1C)N1CCC(N)C1
InChIInChI=1S/C10H18N4/c1-8(10-3-5-12-13(10)2)14-6-4-9(11)7-14/h3,5,8-9H,4,6-7,11H2,1-2H3
InChIKeyFLMQGBSGGSOPSE-UHFFFAOYSA-N
XLogP0.51
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine (CID 82400789) is 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine is CC(c1ccnn1C)N1CCC(N)C1.
What is the InChIKey of 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is FLMQGBSGGSOPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(10-3-5-12-13(10)2)14-6-4-9(11)7-14/h3,5,8-9H,4,6-7,11H2,1-2H3.
What are the key properties of 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine?
1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 194.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 82400789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).