5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide

C10H16BrN3O — CID 107908306

IUPAC5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCCCBr
InChIInChI=1S/C10H16BrN3O/c1-7-10(8(2)14-13-7)12-9(15)5-3-4-6-11/h3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYWJOTDREGYAFAP-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide

5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide (PubChem CID 107908306) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
PubChem CID107908306
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCCCBr
InChIInChI=1S/C10H16BrN3O/c1-7-10(8(2)14-13-7)12-9(15)5-3-4-6-11/h3-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyYWJOTDREGYAFAP-UHFFFAOYSA-N
XLogP2.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
4-cyclohexyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399158
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152
methyl 4-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-methylamino]butanoate
CID 62012696
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43546603
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 43546402
3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43238065
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 54900293
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277200
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide (CID 107908306) is 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide is Cc1n[nH]c(C)c1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
The InChIKey is YWJOTDREGYAFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7-10(8(2)14-13-7)12-9(15)5-3-4-6-11/h3-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide?
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide has a molecular weight of 274.16 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 107908306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).