3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide

C23H25N5O2 — CID 118959791

IUPAC3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(CC(C)(C)O)c4)cc3)c2c1
InChIInChI=1S/C23H25N5O2/c1-23(2,30)14-28-13-18(12-25-28)16-6-4-15(5-7-16)10-21-19-11-17(22(29)24-3)8-9-20(19)26-27-21/h4-9,11-13,30H,10,14H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyMJZXLJIFSOYQOU-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.15
Rot. Bonds6

About 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide

3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide (PubChem CID 118959791) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide
PubChem CID118959791
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(CC(C)(C)O)c4)cc3)c2c1
InChIInChI=1S/C23H25N5O2/c1-23(2,30)14-28-13-18(12-25-28)16-6-4-15(5-7-16)10-21-19-11-17(22(29)24-3)8-9-20(19)26-27-21/h4-9,11-13,30H,10,14H2,1-3H3,(H,24,29)(H,26,27)
InChIKeyMJZXLJIFSOYQOU-UHFFFAOYSA-N
XLogP3.15
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide (CID 118959791) is 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide is CNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(CC(C)(C)O)c4)cc3)c2c1.
What is the InChIKey of 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide?
The InChIKey is MJZXLJIFSOYQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-23(2,30)14-28-13-18(12-25-28)16-6-4-15(5-7-16)10-21-19-11-17(22(29)24-3)8-9-20(19)26-27-21/h4-9,11-13,30H,10,14H2,1-3H3,(H,24,29)(H,26,27).
What are the key properties of 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide?
3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-N-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 118959791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).