N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine

C11H20N4 — CID 142163177

IUPACN,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine
SMILESCN(C)c1ccnn1CCN1CCCC1
InChIInChI=1S/C11H20N4/c1-13(2)11-5-6-12-15(11)10-9-14-7-3-4-8-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyDTSMHVIVEDQYHE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.04
Rot. Bonds4

About N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine

N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine (PubChem CID 142163177) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine
PubChem CID142163177
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine
SMILESCN(C)c1ccnn1CCN1CCCC1
InChIInChI=1S/C11H20N4/c1-13(2)11-5-6-12-15(11)10-9-14-7-3-4-8-14/h5-6H,3-4,7-10H2,1-2H3
InChIKeyDTSMHVIVEDQYHE-UHFFFAOYSA-N
XLogP1.04
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine?
The IUPAC name of N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine (CID 142163177) is N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine?
The canonical SMILES for N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine is CN(C)c1ccnn1CCN1CCCC1.
What is the InChIKey of N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine?
The InChIKey is DTSMHVIVEDQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-13(2)11-5-6-12-15(11)10-9-14-7-3-4-8-14/h5-6H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine?
N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-pyrrolidin-1-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 142163177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).