2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide

C21H20N4O — CID 134035985

IUPAC2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2c1C
InChIInChI=1S/C21H20N4O/c1-14-15(2)24-20-9-8-17(10-19(14)20)21(26)22-11-16-12-23-25(13-16)18-6-4-3-5-7-18/h3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyLNUVVABZYBSEAG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.90
Rot. Bonds4

About 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide (PubChem CID 134035985) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
PubChem CID134035985
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2c1C
InChIInChI=1S/C21H20N4O/c1-14-15(2)24-20-9-8-17(10-19(14)20)21(26)22-11-16-12-23-25(13-16)18-6-4-3-5-7-18/h3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyLNUVVABZYBSEAG-UHFFFAOYSA-N
XLogP3.90
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.90
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-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
2,3-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-indole-5-carboxamide
CID 26447126
2,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 46412846
4-methoxy-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 42031359
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718
3-oxo-N-[(1-phenylpyrazol-4-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17459376
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide (CID 134035985) is 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCc3cnn(-c4ccccc4)c3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
The InChIKey is LNUVVABZYBSEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-15(2)24-20-9-8-17(10-19(14)20)21(26)22-11-16-12-23-25(13-16)18-6-4-3-5-7-18/h3-10,12-13,24H,11H2,1-2H3,(H,22,26).
What are the key properties of 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 134035985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).