2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

C20H18N4O — CID 86763256

IUPAC2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc3c(-c4cnn(C)c4)ccc(C(N)=O)c3[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-12-3-5-13(6-4-12)18-9-17-15(14-10-22-24(2)11-14)7-8-16(20(21)25)19(17)23-18/h3-11,23H,1-2H3,(H2,21,25)
InChIKeyYTFAHLYWFVILAO-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide

2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (PubChem CID 86763256) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
PubChem CID86763256
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide
SMILESCc1ccc(-c2cc3c(-c4cnn(C)c4)ccc(C(N)=O)c3[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-12-3-5-13(6-4-12)18-9-17-15(14-10-22-24(2)11-14)7-8-16(20(21)25)19(17)23-18/h3-11,23H,1-2H3,(H2,21,25)
InChIKeyYTFAHLYWFVILAO-UHFFFAOYSA-N
XLogP3.64
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide (CID 86763256) is 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is Cc1ccc(-c2cc3c(-c4cnn(C)c4)ccc(C(N)=O)c3[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
The InChIKey is YTFAHLYWFVILAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-3-5-13(6-4-12)18-9-17-15(14-10-22-24(2)11-14)7-8-16(20(21)25)19(17)23-18/h3-11,23H,1-2H3,(H2,21,25).
What are the key properties of 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide?
2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 86763256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).