N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide

C22H22N4O — CID 60571067

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H22N4O/c1-14-9-15(2)18-12-20(23-19(18)10-14)22(27)24-21-11-16(3)25-26(21)13-17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,24,27)
InChIKeyJNESSBYCGSQZRT-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.59
Rot. Bonds4

About N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide (PubChem CID 60571067) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
PubChem CID60571067
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C22H22N4O/c1-14-9-15(2)18-12-20(23-19(18)10-14)22(27)24-21-11-16(3)25-26(21)13-17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,24,27)
InChIKeyJNESSBYCGSQZRT-UHFFFAOYSA-N
XLogP4.59
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide (CID 60571067) is N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)Nc3cc(C)nn3Cc3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide?
The InChIKey is JNESSBYCGSQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14-9-15(2)18-12-20(23-19(18)10-14)22(27)24-21-11-16(3)25-26(21)13-17-7-5-4-6-8-17/h4-12,23H,13H2,1-3H3,(H,24,27).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 60571067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).