1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide

C22H20N6O3 — CID 56506638

IUPAC1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C22H20N6O3/c1-27-13-11-24-20(27)14-31-18-8-2-15(3-9-18)22(30)25-16-4-6-17(7-5-16)28-12-10-19(26-28)21(23)29/h2-13H,14H2,1H3,(H2,23,29)(H,25,30)
InChIKeyJIHUDHJEPSQVTO-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.54
Rot. Bonds7

About 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide

1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 56506638) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID56506638
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1
InChIInChI=1S/C22H20N6O3/c1-27-13-11-24-20(27)14-31-18-8-2-15(3-9-18)22(30)25-16-4-6-17(7-5-16)28-12-10-19(26-28)21(23)29/h2-13H,14H2,1H3,(H2,23,29)(H,25,30)
InChIKeyJIHUDHJEPSQVTO-UHFFFAOYSA-N
XLogP2.54
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532
1-(4-chlorophenyl)-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,2,4-triazole-3-carboxamide
CID 78902007
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 60521657
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide (CID 56506638) is 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide is Cn1ccnc1COc1ccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is JIHUDHJEPSQVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-27-13-11-24-20(27)14-31-18-8-2-15(3-9-18)22(30)25-16-4-6-17(7-5-16)28-12-10-19(26-28)21(23)29/h2-13H,14H2,1H3,(H2,23,29)(H,25,30).
What are the key properties of 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56506638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).