N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide

C21H25N5O2 — CID 24791125

IUPACN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2)11-17(24-20(27)18-9-10-22-25(18)3)16-13-23-26(19(16)12-21)14-5-7-15(28-4)8-6-14/h5-10,13,17H,11-12H2,1-4H3,(H,24,27)
InChIKeyJEDMTKHBAOFZLM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide

N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 24791125) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide
PubChem CID24791125
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C21H25N5O2/c1-21(2)11-17(24-20(27)18-9-10-22-25(18)3)16-13-23-26(19(16)12-21)14-5-7-15(28-4)8-6-14/h5-10,13,17H,11-12H2,1-4H3,(H,24,27)
InChIKeyJEDMTKHBAOFZLM-UHFFFAOYSA-N
XLogP3.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide (CID 24791125) is N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide is COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JEDMTKHBAOFZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-21(2)11-17(24-20(27)18-9-10-22-25(18)3)16-13-23-26(19(16)12-21)14-5-7-15(28-4)8-6-14/h5-10,13,17H,11-12H2,1-4H3,(H,24,27).
What are the key properties of N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide?
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 24791125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).