4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide

C10H12BrF3N4O2 — CID 4767820

IUPAC4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NN2CCOCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C10H12BrF3N4O2/c1-17-8(10(12,13)14)6(11)7(15-17)9(19)16-18-2-4-20-5-3-18/h2-5H2,1H3,(H,16,19)
InChIKeyBOGWKCIQCWCMPX-UHFFFAOYSA-N
MW357.13 g/mol
LogP1.18
Rot. Bonds2

About 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4767820) has the molecular formula C10H12BrF3N4O2 and a molecular weight of 357.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4767820
Molecular FormulaC10H12BrF3N4O2
Molecular Weight357.13 g/mol
Exact Mass356.01
IUPAC Name4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NN2CCOCC2)c(Br)c1C(F)(F)F
InChIInChI=1S/C10H12BrF3N4O2/c1-17-8(10(12,13)14)6(11)7(15-17)9(19)16-18-2-4-20-5-3-18/h2-5H2,1H3,(H,16,19)
InChIKeyBOGWKCIQCWCMPX-UHFFFAOYSA-N
XLogP1.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4767820) is 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NN2CCOCC2)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is BOGWKCIQCWCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N4O2/c1-17-8(10(12,13)14)6(11)7(15-17)9(19)16-18-2-4-20-5-3-18/h2-5H2,1H3,(H,16,19).
What are the key properties of 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 357.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-morpholin-4-yl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4767820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).