5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide

C17H17BrF3N5O3 — CID 19456576

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)o2)c(C)c1Br
InChIInChI=1S/C17H17BrF3N5O3/c1-10-15(18)11(2)26(24-10)7-13-3-4-14(29-13)16(27)23-12-5-22-25(6-12)9-28-8-17(19,20)21/h3-6H,7-9H2,1-2H3,(H,23,27)
InChIKeyWMQFUXOXBFBXTB-UHFFFAOYSA-N
MW476.25 g/mol
LogP3.89
Rot. Bonds7

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19456576) has the molecular formula C17H17BrF3N5O3 and a molecular weight of 476.25 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
PubChem CID19456576
Molecular FormulaC17H17BrF3N5O3
Molecular Weight476.25 g/mol
Exact Mass475.05
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)o2)c(C)c1Br
InChIInChI=1S/C17H17BrF3N5O3/c1-10-15(18)11(2)26(24-10)7-13-3-4-14(29-13)16(27)23-12-5-22-25(6-12)9-28-8-17(19,20)21/h3-6H,7-9H2,1-2H3,(H,23,27)
InChIKeyWMQFUXOXBFBXTB-UHFFFAOYSA-N
XLogP3.89
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1224509
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19454866
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19584635
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19452597
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
CID 19538358
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448558
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340555
5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19340719
1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19474461

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide (CID 19456576) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3cnn(COCC(F)(F)F)c3)o2)c(C)c1Br.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is WMQFUXOXBFBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N5O3/c1-10-15(18)11(2)26(24-10)7-13-3-4-14(29-13)16(27)23-12-5-22-25(6-12)9-28-8-17(19,20)21/h3-6H,7-9H2,1-2H3,(H,23,27).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 476.25 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19456576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).