(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H19BrN4O — CID 39747486

IUPAC(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-10(2)20-14(8-9-17-20)19-15(21)11(3)18-13-6-4-12(16)5-7-13/h4-11,18H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyXALNGCBDAKAEQJ-NSHDSACASA-N
MW351.25 g/mol
LogP3.67
Rot. Bonds5

About (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 39747486) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID39747486
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-10(2)20-14(8-9-17-20)19-15(21)11(3)18-13-6-4-12(16)5-7-13/h4-11,18H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyXALNGCBDAKAEQJ-NSHDSACASA-N
XLogP3.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62954369
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 9453544
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
3-(ethylamino)-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 62853946
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42998409
(2R)-2-amino-N-(2-propan-2-ylpyrazol-3-yl)pentanamide
CID 103794002
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide
CID 134041468
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 39747486) is (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@H](C)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is XALNGCBDAKAEQJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-10(2)20-14(8-9-17-20)19-15(21)11(3)18-13-6-4-12(16)5-7-13/h4-11,18H,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 351.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromoanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 39747486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).