2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine

C12H21N5 — CID 165474821

IUPAC2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
SMILESc1cc(NCCC2CCNC2)n(C2CNC2)n1
InChIInChI=1S/C12H21N5/c1-4-13-7-10(1)2-5-15-12-3-6-16-17(12)11-8-14-9-11/h3,6,10-11,13-15H,1-2,4-5,7-9H2
InChIKeyOQQPTIIJWYQTIC-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.44
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine

2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine (PubChem CID 165474821) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
PubChem CID165474821
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
SMILESc1cc(NCCC2CCNC2)n(C2CNC2)n1
InChIInChI=1S/C12H21N5/c1-4-13-7-10(1)2-5-15-12-3-6-16-17(12)11-8-14-9-11/h3,6,10-11,13-15H,1-2,4-5,7-9H2
InChIKeyOQQPTIIJWYQTIC-UHFFFAOYSA-N
XLogP0.44
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474174
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 116975968
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
N-(2-pyrrolidin-3-ylethyl)-6-(1H-pyrrol-3-yl)pyridazin-3-amine
CID 116972198
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine (CID 165474821) is 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine is c1cc(NCCC2CCNC2)n(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine?
The InChIKey is OQQPTIIJWYQTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-13-7-10(1)2-5-15-12-3-6-16-17(12)11-8-14-9-11/h3,6,10-11,13-15H,1-2,4-5,7-9H2.
What are the key properties of 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine?
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 165474821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).