N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide

C17H16BrF2N5O2 — CID 19280097

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C17H16BrF2N5O2/c1-2-25-15(12(18)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(19)7-13(16)20/h3-8H,2,9-10H2,1H3,(H,21,26)
InChIKeyIEFGIHUVUFXCFI-UHFFFAOYSA-N
MW440.25 g/mol
LogP3.11
Rot. Bonds7

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19280097) has the molecular formula C17H16BrF2N5O2 and a molecular weight of 440.25 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19280097
Molecular FormulaC17H16BrF2N5O2
Molecular Weight440.25 g/mol
Exact Mass439.05
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(F)cc2F)n1
InChIInChI=1S/C17H16BrF2N5O2/c1-2-25-15(12(18)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(19)7-13(16)20/h3-8H,2,9-10H2,1H3,(H,21,26)
InChIKeyIEFGIHUVUFXCFI-UHFFFAOYSA-N
XLogP3.11
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 19274596
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273276
1-[(2,4-difluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279936
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
N-[(2S)-butan-2-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 39891451
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 19618706
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
1-[(2,4-difluorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19280086
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide (CID 19280097) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(F)cc2F)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is IEFGIHUVUFXCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF2N5O2/c1-2-25-15(12(18)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(19)7-13(16)20/h3-8H,2,9-10H2,1H3,(H,21,26).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 440.25 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19280097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).