4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C10H16BrN3O — CID 19266169

IUPAC4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCC(C)C)nn1C
InChIInChI=1S/C10H16BrN3O/c1-6(2)5-12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyCMHGZUAKPNLISL-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.88
Rot. Bonds3

About 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19266169) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19266169
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCc1c(Br)c(C(=O)NCC(C)C)nn1C
InChIInChI=1S/C10H16BrN3O/c1-6(2)5-12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15)
InChIKeyCMHGZUAKPNLISL-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.88
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 11
CID 162396380
WO2021250648, Example 72
CID 162396437
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
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
2-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]octahydropyrrolo[1,2-a]pyrazine
CID 4155287
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19266169) is 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is Cc1c(Br)c(C(=O)NCC(C)C)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is CMHGZUAKPNLISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(2)5-12-10(15)9-8(11)7(3)14(4)13-9/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19266169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).