N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide

C16H27N3O — CID 164634432

IUPACN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyYHYYWYYWWKKSGB-NSHDSACASA-N
MW277.41 g/mol
LogP3.93
Rot. Bonds5

About N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide

N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide (PubChem CID 164634432) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
PubChem CID164634432
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
SMILESCC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1
InChIKeyYHYYWYYWWKKSGB-NSHDSACASA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The IUPAC name of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide (CID 164634432) is N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide.
What is the SMILES notation for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The canonical SMILES for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide is CC[C@H](C)n1ncc(NC(=O)C(C)(C)C2CCC2)c1C.
What is the InChIKey of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
The InChIKey is YHYYWYYWWKKSGB-NSHDSACASA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-11(2)19-12(3)14(10-17-19)18-15(20)16(4,5)13-8-7-9-13/h10-11,13H,6-9H2,1-5H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide?
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide is sourced from PubChem (CID 164634432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).