N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

C21H19FN4O — CID 56868490

IUPACN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n[nH]1
InChIInChI=1S/C21H19FN4O/c1-12-9-19(26-25-12)21(27)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyWGTZXSGXQVGTTR-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.24
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56868490) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID56868490
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n[nH]1
InChIInChI=1S/C21H19FN4O/c1-12-9-19(26-25-12)21(27)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,27)(H,25,26)
InChIKeyWGTZXSGXQVGTTR-UHFFFAOYSA-N
XLogP4.24
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 56868490) is N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)n[nH]1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is WGTZXSGXQVGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-12-9-19(26-25-12)21(27)23-11-14-3-8-18-17(10-14)13(2)20(24-18)15-4-6-16(22)7-5-15/h3-10,24H,11H2,1-2H3,(H,23,27)(H,25,26).
What are the key properties of N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide?
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56868490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).