2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide

C16H18N4O — CID 86979107

IUPAC2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCc3ccnn3C)cccc2c1C
InChIInChI=1S/C16H18N4O/c1-10-11(2)19-15-13(10)5-4-6-14(15)16(21)17-9-12-7-8-18-20(12)3/h4-8,19H,9H2,1-3H3,(H,17,21)
InChIKeyACLGDEDQJYSTGP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.45
Rot. Bonds3

About 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide

2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 86979107) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
PubChem CID86979107
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NCc3ccnn3C)cccc2c1C
InChIInChI=1S/C16H18N4O/c1-10-11(2)19-15-13(10)5-4-6-14(15)16(21)17-9-12-7-8-18-20(12)3/h4-8,19H,9H2,1-3H3,(H,17,21)
InChIKeyACLGDEDQJYSTGP-UHFFFAOYSA-N
XLogP2.45
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558566
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 111451352
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
3,6-dimethyl-2-[(2-methylpyrazol-3-yl)methylcarbamoyl]benzoic acid
CID 103429066
1-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-3-methylurea
CID 47383567
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111698262
N-[2-(benzenesulfonamido)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 78852520

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide (CID 86979107) is 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NCc3ccnn3C)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is ACLGDEDQJYSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-11(2)19-15-13(10)5-4-6-14(15)16(21)17-9-12-7-8-18-20(12)3/h4-8,19H,9H2,1-3H3,(H,17,21).
What are the key properties of 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide?
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 86979107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).