3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide

C12H21N5O — CID 165484929

IUPAC3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C12H21N5O/c1-2-3-9(13)6-12(18)16-11-4-5-15-17(11)10-7-14-8-10/h4-5,9-10,14H,2-3,6-8,13H2,1H3,(H,16,18)
InChIKeyDGHHSOXXMATSMR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.48
Rot. Bonds6

About 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide

3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide (PubChem CID 165484929) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
PubChem CID165484929
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C12H21N5O/c1-2-3-9(13)6-12(18)16-11-4-5-15-17(11)10-7-14-8-10/h4-5,9-10,14H,2-3,6-8,13H2,1H3,(H,16,18)
InChIKeyDGHHSOXXMATSMR-UHFFFAOYSA-N
XLogP0.48
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
CID 165482729
N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-carbamothioylbutanamide
CID 165474032
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 165483514
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
CID 165484838
(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
CID 165474891
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide?
The IUPAC name of 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide (CID 165484929) is 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide.
What is the SMILES notation for 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide?
The canonical SMILES for 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide is CCCC(N)CC(=O)Nc1ccnn1C1CNC1.
What is the InChIKey of 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide?
The InChIKey is DGHHSOXXMATSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-3-9(13)6-12(18)16-11-4-5-15-17(11)10-7-14-8-10/h4-5,9-10,14H,2-3,6-8,13H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide?
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide has a molecular weight of 251.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide is sourced from PubChem (CID 165484929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).