(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H26N6O — CID 95301579

IUPAC(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1
InChIInChI=1S/C17H26N6O/c1-10-7-11(2)23(19-10)15-8-22(9-15)14(5)17(24)18-16-12(3)20-21(6)13(16)4/h7,14-15H,8-9H2,1-6H3,(H,18,24)/t14-/m0/s1
InChIKeyPGKJLWVLHOOXHP-AWEZNQCLSA-N
MW330.44 g/mol
LogP1.73
Rot. Bonds4

About (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 95301579) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID95301579
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1
InChIInChI=1S/C17H26N6O/c1-10-7-11(2)23(19-10)15-8-22(9-15)14(5)17(24)18-16-12(3)20-21(6)13(16)4/h7,14-15H,8-9H2,1-6H3,(H,18,24)/t14-/m0/s1
InChIKeyPGKJLWVLHOOXHP-AWEZNQCLSA-N
XLogP1.73
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 95301579) is (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc(C)n(C2CN([C@@H](C)C(=O)Nc3c(C)nn(C)c3C)C2)n1.
What is the InChIKey of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is PGKJLWVLHOOXHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O/c1-10-7-11(2)23(19-10)15-8-22(9-15)14(5)17(24)18-16-12(3)20-21(6)13(16)4/h7,14-15H,8-9H2,1-6H3,(H,18,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 330.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95301579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).