N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide

C20H19N5O2 — CID 67107136

IUPACN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(C)c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C20H19N5O2/c1-25-18-9-14(15-11-22-23-12-15)6-7-17(18)19(24-25)20(26)21-10-13-4-3-5-16(8-13)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXHTKNEGJOZJXTR-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.90
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide (PubChem CID 67107136) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide
PubChem CID67107136
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2nn(C)c3cc(-c4cn[nH]c4)ccc23)c1
InChIInChI=1S/C20H19N5O2/c1-25-18-9-14(15-11-22-23-12-15)6-7-17(18)19(24-25)20(26)21-10-13-4-3-5-16(8-13)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyXHTKNEGJOZJXTR-UHFFFAOYSA-N
XLogP2.90
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide (CID 67107136) is N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide is COc1cccc(CNC(=O)c2nn(C)c3cc(-c4cn[nH]c4)ccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide?
The InChIKey is XHTKNEGJOZJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-18-9-14(15-11-22-23-12-15)6-7-17(18)19(24-25)20(26)21-10-13-4-3-5-16(8-13)27-2/h3-9,11-12H,10H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 67107136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).