N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C22H22N4O3 — CID 46323290

IUPACN-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3c2CCCC3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-29-19-12-11-15(13-18(19)24-21(27)14-7-3-2-4-8-14)23-22(28)20-16-9-5-6-10-17(16)25-26-20/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyKWUJNMWXHKTYDP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.80
Rot. Bonds5

About N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 46323290) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID46323290
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c3c2CCCC3)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H22N4O3/c1-29-19-12-11-15(13-18(19)24-21(27)14-7-3-2-4-8-14)23-22(28)20-16-9-5-6-10-17(16)25-26-20/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyKWUJNMWXHKTYDP-UHFFFAOYSA-N
XLogP3.80
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75502190
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110623445
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
N-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110426145
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942
N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 4230884
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167806033

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 46323290) is N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c3c2CCCC3)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is KWUJNMWXHKTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-19-12-11-15(13-18(19)24-21(27)14-7-3-2-4-8-14)23-22(28)20-16-9-5-6-10-17(16)25-26-20/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 46323290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).