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

C12H21N5O — CID 165484747

IUPAC2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
SMILESc1cc(NCCC2CNCCO2)n(C2CNC2)n1
InChIInChI=1S/C12H21N5O/c1(11-9-13-5-6-18-11)3-15-12-2-4-16-17(12)10-7-14-8-10/h2,4,10-11,13-15H,1,3,5-9H2
InChIKeyXPSMHTFUMUUGNC-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.18
Rot. Bonds5

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

2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine (PubChem CID 165484747) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
PubChem CID165484747
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
SMILESc1cc(NCCC2CNCCO2)n(C2CNC2)n1
InChIInChI=1S/C12H21N5O/c1(11-9-13-5-6-18-11)3-15-12-2-4-16-17(12)10-7-14-8-10/h2,4,10-11,13-15H,1,3,5-9H2
InChIKeyXPSMHTFUMUUGNC-UHFFFAOYSA-N
XLogP-0.18
TPSA63.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
N-(2-morpholin-2-ylethyl)pyridin-4-amine
CID 115239129
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802
6-(4-fluorophenyl)-N-(2-morpholin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167959752
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
N-methyl-2-morpholin-2-ylethanamine
CID 14652595
5-cyclobutyl-N-(2-morpholin-2-ylethyl)pyrimidin-2-amine
CID 116976004
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474174
6-methyl-N-(2-morpholin-2-ylethyl)-1,3-benzodioxol-5-amine
CID 115239132

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine (CID 165484747) is 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine is c1cc(NCCC2CNCCO2)n(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine?
The InChIKey is XPSMHTFUMUUGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1(11-9-13-5-6-18-11)3-15-12-2-4-16-17(12)10-7-14-8-10/h2,4,10-11,13-15H,1,3,5-9H2.
What are the key properties of 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine?
2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine has a molecular weight of 251.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 165484747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).