N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide

C21H23N3O3 — CID 78866028

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2n[nH]c3ccc(C)cc23)C2CC2)c1
InChIInChI=1S/C21H23N3O3/c1-13-4-8-18-17(10-13)20(23-22-18)21(25)24(15-5-6-15)12-14-11-16(26-2)7-9-19(14)27-3/h4,7-11,15H,5-6,12H2,1-3H3,(H,22,23)
InChIKeyGTBMDHTXJNAHKY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.69
Rot. Bonds6

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78866028) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78866028
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2n[nH]c3ccc(C)cc23)C2CC2)c1
InChIInChI=1S/C21H23N3O3/c1-13-4-8-18-17(10-13)20(23-22-18)21(25)24(15-5-6-15)12-14-11-16(26-2)7-9-19(14)27-3/h4,7-11,15H,5-6,12H2,1-3H3,(H,22,23)
InChIKeyGTBMDHTXJNAHKY-UHFFFAOYSA-N
XLogP3.69
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
CID 86852999
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866013
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 33078983
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzamide
CID 33032868
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide (CID 78866028) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide is COc1ccc(OC)c(CN(C(=O)c2n[nH]c3ccc(C)cc23)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is GTBMDHTXJNAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-13-4-8-18-17(10-13)20(23-22-18)21(25)24(15-5-6-15)12-14-11-16(26-2)7-9-19(14)27-3/h4,7-11,15H,5-6,12H2,1-3H3,(H,22,23).
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78866028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).