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

C12H19N5O — CID 165484852

IUPAC(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C12H19N5O/c13-10(5-8-1-2-8)12(18)16-11-3-4-15-17(11)9-6-14-7-9/h3-4,8-10,14H,1-2,5-7,13H2,(H,16,18)/t10-/m0/s1
InChIKeyBHUXCZXGUNAMRW-JTQLQIEISA-N
MW249.32 g/mol
LogP0.09
Rot. Bonds5

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

(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide (PubChem CID 165484852) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
PubChem CID165484852
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)Nc1ccnn1C1CNC1
InChIInChI=1S/C12H19N5O/c13-10(5-8-1-2-8)12(18)16-11-3-4-15-17(11)9-6-14-7-9/h3-4,8-10,14H,1-2,5-7,13H2,(H,16,18)/t10-/m0/s1
InChIKeyBHUXCZXGUNAMRW-JTQLQIEISA-N
XLogP0.09
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
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
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484929
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
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
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
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperazine-2-carboxamide
CID 165474818
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide (CID 165484852) is (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide is N[C@@H](CC1CC1)C(=O)Nc1ccnn1C1CNC1.
What is the InChIKey of (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide?
The InChIKey is BHUXCZXGUNAMRW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O/c13-10(5-8-1-2-8)12(18)16-11-3-4-15-17(11)9-6-14-7-9/h3-4,8-10,14H,1-2,5-7,13H2,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide?
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide has a molecular weight of 249.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide is sourced from PubChem (CID 165484852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).