2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide

C10H16BrN3O — CID 130495798

IUPAC2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
SMILESCCC(Br)C(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-8(11)10(15)12-9-5-6-14(13-9)7(2)3/h5-8H,4H2,1-3H3,(H,12,13,15)
InChIKeyLAIQDDRCEGBHMT-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide

2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide (PubChem CID 130495798) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
PubChem CID130495798
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
SMILESCCC(Br)C(=O)Nc1ccn(C(C)C)n1
InChIInChI=1S/C10H16BrN3O/c1-4-8(11)10(15)12-9-5-6-14(13-9)7(2)3/h5-8H,4H2,1-3H3,(H,12,13,15)
InChIKeyLAIQDDRCEGBHMT-UHFFFAOYSA-N
XLogP2.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075
2-[[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]methyl]butanoic acid
CID 114251142
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
4-acetyl-N-(1-propan-2-ylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 146129104
(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
N-(1-ethylpyrazol-3-yl)-2-sulfanylbutanamide
CID 130927400
1-[(1-propan-2-ylpyrazol-3-yl)amino]propan-2-ol
CID 130496246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The IUPAC name of 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide (CID 130495798) is 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The canonical SMILES for 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide is CCC(Br)C(=O)Nc1ccn(C(C)C)n1.
What is the InChIKey of 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
The InChIKey is LAIQDDRCEGBHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-8(11)10(15)12-9-5-6-14(13-9)7(2)3/h5-8H,4H2,1-3H3,(H,12,13,15).
What are the key properties of 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide?
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide has a molecular weight of 274.16 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide is sourced from PubChem (CID 130495798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).