N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

C21H18N6O2 — CID 167817105

IUPACN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1C
InChIInChI=1S/C21H18N6O2/c1-12-8-15-17(9-14(12)10-22)25-26-20(15)24-21(28)16-11-23-27(13(16)2)18-6-4-5-7-19(18)29-3/h4-9,11H,1-3H3,(H2,24,25,26,28)
InChIKeyXBYQJAXCNVDXNC-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.50
Rot. Bonds4

About N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide

N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 167817105) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID167817105
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1C
InChIInChI=1S/C21H18N6O2/c1-12-8-15-17(9-14(12)10-22)25-26-20(15)24-21(28)16-11-23-27(13(16)2)18-6-4-5-7-19(18)29-3/h4-9,11H,1-3H3,(H2,24,25,26,28)
InChIKeyXBYQJAXCNVDXNC-UHFFFAOYSA-N
XLogP3.50
TPSA108.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 32612173
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N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
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N-(6-cyano-5-methyl-1H-indazol-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
CID 166431465
trans-(1R,2R)-N-(6-cyano-5-methyl-1H-indazol-3-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 167772729
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 167817105) is N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1ccccc1-n1ncc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1C.
What is the InChIKey of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XBYQJAXCNVDXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-12-8-15-17(9-14(12)10-22)25-26-20(15)24-21(28)16-11-23-27(13(16)2)18-6-4-5-7-19(18)29-3/h4-9,11H,1-3H3,(H2,24,25,26,28).
What are the key properties of N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-5-methyl-1H-indazol-3-yl)-1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167817105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).