4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

C11H13BrF3N3O — CID 71884982

IUPAC4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H13BrF3N3O/c1-18(5-4-11(13,14)15)10(19)9-7(12)8(16-17-9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)
InChIKeyHMTIRGIXDDNAEM-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.07
Rot. Bonds4

About 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide

4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (PubChem CID 71884982) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
PubChem CID71884982
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H13BrF3N3O/c1-18(5-4-11(13,14)15)10(19)9-7(12)8(16-17-9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17)
InChIKeyHMTIRGIXDDNAEM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide (CID 71884982) is 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HMTIRGIXDDNAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c1-18(5-4-11(13,14)15)10(19)9-7(12)8(16-17-9)6-2-3-6/h6H,2-5H2,1H3,(H,16,17).
What are the key properties of 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide?
4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 340.14 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).