4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide

C10H16BrN3O — CID 15766811

IUPAC4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(C)C)c1Br
InChIInChI=1S/C10H16BrN3O/c1-6-7(11)8(14(5)13-6)9(15)12-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyJCQDYZFHKIEGBO-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.02
Rot. Bonds1

About 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 15766811) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
PubChem CID15766811
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)(C)C)c1Br
InChIInChI=1S/C10H16BrN3O/c1-6-7(11)8(14(5)13-6)9(15)12-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyJCQDYZFHKIEGBO-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
WO2021250648, Example 72
CID 162396437
4-Bromo-1,3-dimethyl-N~5~-(1-methyl-2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 4770997
4-Bromo-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-1,3-dimethyl-N-[3-(morpholin-4-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19575485
4-bromo-N-cyclopropyl-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 19577803
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
4-bromo-N-(4-hydroxy-2,3,3-trimethylbutan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 138008933
[4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL](4-methylpiperazino)methanone
CID 4767862
4-bromo-1-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768998
4-bromo-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4770714

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide (CID 15766811) is 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)(C)C)c1Br.
What is the InChIKey of 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is JCQDYZFHKIEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6-7(11)8(14(5)13-6)9(15)12-10(2,3)4/h1-5H3,(H,12,15).
What are the key properties of 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 15766811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).