2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide

C10H16BrN3O — CID 62904075

IUPAC2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCCC(Br)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H16BrN3O/c1-4-9(11)10(15)13-8-5-12-14(6-8)7(2)3/h5-7,9H,4H2,1-3H3,(H,13,15)
InChIKeyGWXGEIZQTPYQHL-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.58
Rot. Bonds4

About 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide

2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide (PubChem CID 62904075) 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-4-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
PubChem CID62904075
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
SMILESCCC(Br)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H16BrN3O/c1-4-9(11)10(15)13-8-5-12-14(6-8)7(2)3/h5-7,9H,4H2,1-3H3,(H,13,15)
InChIKeyGWXGEIZQTPYQHL-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-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276
1-(1-hydroxypropan-2-yl)-1-methyl-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 110010595
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The IUPAC name of 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide (CID 62904075) is 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The canonical SMILES for 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide is CCC(Br)C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
The InChIKey is GWXGEIZQTPYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-9(11)10(15)13-8-5-12-14(6-8)7(2)3/h5-7,9H,4H2,1-3H3,(H,13,15).
What are the key properties of 2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide?
2-bromo-N-(1-propan-2-ylpyrazol-4-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-4-yl)butanamide is sourced from PubChem (CID 62904075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).