2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide

C11H19N5OS — CID 165482729

IUPAC2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C11H19N5OS/c1-18-5-3-9(12)11(17)15-10-2-4-14-16(10)8-6-13-7-8/h2,4,8-9,13H,3,5-7,12H2,1H3,(H,15,17)
InChIKeyLLZYEQNSCRQDIP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.05
Rot. Bonds6

About 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide

2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide (PubChem CID 165482729) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
PubChem CID165482729
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
SMILESCSCCC(N)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C11H19N5OS/c1-18-5-3-9(12)11(17)15-10-2-4-14-16(10)8-6-13-7-8/h2,4,8-9,13H,3,5-7,12H2,1H3,(H,15,17)
InChIKeyLLZYEQNSCRQDIP-UHFFFAOYSA-N
XLogP0.05
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
(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
(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
CID 165474891
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484929
N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-carbamothioylbutanamide
CID 165474032
(2S)-2-amino-4-methylsulfanyl-N-pyridin-4-ylbutanamide
CID 61148006
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
CID 165484838
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
(3R)-N-[2-(azetidin-3-yl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 165482654
(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
CID 104906984

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide (CID 165482729) is 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide is CSCCC(N)C(=O)Nc1ccnn1C1CNC1.
What is the InChIKey of 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide?
The InChIKey is LLZYEQNSCRQDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-18-5-3-9(12)11(17)15-10-2-4-14-16(10)8-6-13-7-8/h2,4,8-9,13H,3,5-7,12H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide?
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide has a molecular weight of 269.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 165482729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).