N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C21H22N4O2 — CID 51275522

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C21H22N4O2/c1-12-18-16(10-7-11-17(18)26)22-19(12)21(27)23-20-13(2)24-25(14(20)3)15-8-5-4-6-9-15/h4-6,8-9,22H,7,10-11H2,1-3H3,(H,23,27)
InChIKeyPNURELCKMPINGE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.90
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 51275522) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID51275522
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2
InChIInChI=1S/C21H22N4O2/c1-12-18-16(10-7-11-17(18)26)22-19(12)21(27)23-20-13(2)24-25(14(20)3)15-8-5-4-6-9-15/h4-6,8-9,22H,7,10-11H2,1-3H3,(H,23,27)
InChIKeyPNURELCKMPINGE-UHFFFAOYSA-N
XLogP3.90
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 51275522) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is PNURELCKMPINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-12-18-16(10-7-11-17(18)26)22-19(12)21(27)23-20-13(2)24-25(14(20)3)15-8-5-4-6-9-15/h4-6,8-9,22H,7,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 51275522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).