4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C8H11Br2N3O — CID 19508462

IUPAC4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C8H11Br2N3O/c1-4(2)3-11-8(14)6-5(9)7(10)13-12-6/h4H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyHLHLAZYXCVNTJY-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.32
Rot. Bonds3

About 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide

4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508462) has the molecular formula C8H11Br2N3O and a molecular weight of 325.00 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID19508462
Molecular FormulaC8H11Br2N3O
Molecular Weight325.00 g/mol
Exact Mass322.93
IUPAC Name4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CNC(=O)c1n[nH]c(Br)c1Br
InChIInChI=1S/C8H11Br2N3O/c1-4(2)3-11-8(14)6-5(9)7(10)13-12-6/h4H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyHLHLAZYXCVNTJY-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 19508610
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
4-bromo-1-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268210
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
4,5-dibromo-N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 19508603
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111445713
4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19267324

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 19508462) is 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)CNC(=O)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HLHLAZYXCVNTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2N3O/c1-4(2)3-11-8(14)6-5(9)7(10)13-12-6/h4H,3H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 325.00 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).