(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide

C15H27N3O3S — CID 95625108

IUPAC(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)C[C@@H](C)n1nccc1NC(=O)[C@H](C)S(=O)(=O)C(C)C
InChIInChI=1S/C15H27N3O3S/c1-10(2)9-12(5)18-14(7-8-16-18)17-15(19)13(6)22(20,21)11(3)4/h7-8,10-13H,9H2,1-6H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyTVBIHYMJPRCLND-OLZOCXBDSA-N
MW329.47 g/mol
LogP2.64
Rot. Bonds7

About (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide

(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 95625108) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide
PubChem CID95625108
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)C[C@@H](C)n1nccc1NC(=O)[C@H](C)S(=O)(=O)C(C)C
InChIInChI=1S/C15H27N3O3S/c1-10(2)9-12(5)18-14(7-8-16-18)17-15(19)13(6)22(20,21)11(3)4/h7-8,10-13H,9H2,1-6H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyTVBIHYMJPRCLND-OLZOCXBDSA-N
XLogP2.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181
N-(2-butan-2-ylpyrazol-3-yl)-2-methoxypropanamide
CID 87023937
N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789769
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
2-(4-methylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 90726448
(2R)-2-amino-N-(2-propan-2-ylpyrazol-3-yl)pentanamide
CID 103794002
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-methylsulfonylacetamide
CID 46988502
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 94896765
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 2540976
(2R)-2-[4-(acetamidomethyl)piperidin-1-yl]-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]propanamide
CID 94183815

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide (CID 95625108) is (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide is CC(C)C[C@@H](C)n1nccc1NC(=O)[C@H](C)S(=O)(=O)C(C)C.
What is the InChIKey of (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is TVBIHYMJPRCLND-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-10(2)9-12(5)18-14(7-8-16-18)17-15(19)13(6)22(20,21)11(3)4/h7-8,10-13H,9H2,1-6H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide?
(2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(2R)-4-methylpentan-2-yl]pyrazol-3-yl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 95625108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).