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

C18H20BrN5O3 — CID 19273276

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20BrN5O3/c1-3-24-17(15(19)10-21-24)11-20-18(25)16-8-9-23(22-16)12-27-14-6-4-13(26-2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,25)
InChIKeyJZKAAZNWACPGLM-UHFFFAOYSA-N
MW434.29 g/mol
LogP2.84
Rot. Bonds8

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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273276) has the molecular formula C18H20BrN5O3 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273276
Molecular FormulaC18H20BrN5O3
Molecular Weight434.29 g/mol
Exact Mass433.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20BrN5O3/c1-3-24-17(15(19)10-21-24)11-20-18(25)16-8-9-23(22-16)12-27-14-6-4-13(26-2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,25)
InChIKeyJZKAAZNWACPGLM-UHFFFAOYSA-N
XLogP2.84
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-bromophenoxy)methyl]pyrazole-3-carboxamide
CID 19296548
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
CID 19274596
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280097
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19296577
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273301
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273300
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278351

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19273276) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(OC)cc2)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is JZKAAZNWACPGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O3/c1-3-24-17(15(19)10-21-24)11-20-18(25)16-8-9-23(22-16)12-27-14-6-4-13(26-2)5-7-14/h4-10H,3,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).