4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C11H13BrF3N3O — CID 71922565

IUPAC4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1[nH]ncc1Br)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N3O/c12-8-4-16-17-9(8)10(19)18(6-11(13,14)15)5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,16,17)
InChIKeyHYPYZWMDSSTUFT-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.98
Rot. Bonds4

About 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 71922565) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID71922565
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(c1[nH]ncc1Br)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N3O/c12-8-4-16-17-9(8)10(19)18(6-11(13,14)15)5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,16,17)
InChIKeyHYPYZWMDSSTUFT-UHFFFAOYSA-N
XLogP2.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 71922565) is 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is O=C(c1[nH]ncc1Br)N(CC1CCC1)CC(F)(F)F.
What is the InChIKey of 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HYPYZWMDSSTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c12-8-4-16-17-9(8)10(19)18(6-11(13,14)15)5-7-2-1-3-7/h4,7H,1-3,5-6H2,(H,16,17).
What are the key properties of 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 340.14 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71922565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).