3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide

C8H13BrN4O — CID 843271

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)c(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-5-8(9)6(2)13(12-5)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)
InChIKeyAUVRVCHPAVPNPM-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.64
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide (PubChem CID 843271) has the molecular formula C8H13BrN4O and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
PubChem CID843271
Molecular FormulaC8H13BrN4O
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
SMILESCc1nn(CCC(=O)NN)c(C)c1Br
InChIInChI=1S/C8H13BrN4O/c1-5-8(9)6(2)13(12-5)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14)
InChIKeyAUVRVCHPAVPNPM-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 604525
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-isobutylhydrazinecarbothioamide
CID 1767917
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide
CID 3711958
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methylhydrazinecarbothioamide
CID 4689980
1-[[2-(4-Bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylthiourea
CID 2819892
3-(3,5-Dimethylpyrazolyl)-2-methylpropanohydrazide
CID 16451335
3-(4-Bromo-3,5-dimethyl-1h-pyrazol-1-yl)-propionaldehyde
CID 63040397
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazolyl]-N-morpholin-4-ylpropanamide
CID 4770788
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 4771009
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
CID 7018465
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetohydrazide
CID 7018473
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19330105

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide (CID 843271) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide is Cc1nn(CCC(=O)NN)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
The InChIKey is AUVRVCHPAVPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4O/c1-5-8(9)6(2)13(12-5)4-3-7(14)11-10/h3-4,10H2,1-2H3,(H,11,14).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide has a molecular weight of 261.12 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 843271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).