N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide

C17H21N5O — CID 166298747

IUPACN-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCC(C)(N)Cn3cccn3)c[nH]c2c1
InChIInChI=1S/C17H21N5O/c1-12-4-5-13-14(9-19-15(13)8-12)16(23)20-10-17(2,18)11-22-7-3-6-21-22/h3-9,19H,10-11,18H2,1-2H3,(H,20,23)
InChIKeySZLDLNPZBPYGOG-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.82
Rot. Bonds5

About N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide

N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide (PubChem CID 166298747) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide
PubChem CID166298747
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide
SMILESCc1ccc2c(C(=O)NCC(C)(N)Cn3cccn3)c[nH]c2c1
InChIInChI=1S/C17H21N5O/c1-12-4-5-13-14(9-19-15(13)8-12)16(23)20-10-17(2,18)11-22-7-3-6-21-22/h3-9,19H,10-11,18H2,1-2H3,(H,20,23)
InChIKeySZLDLNPZBPYGOG-UHFFFAOYSA-N
XLogP1.82
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide (CID 166298747) is N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide is Cc1ccc2c(C(=O)NCC(C)(N)Cn3cccn3)c[nH]c2c1.
What is the InChIKey of N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide?
The InChIKey is SZLDLNPZBPYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-4-5-13-14(9-19-15(13)8-12)16(23)20-10-17(2,18)11-22-7-3-6-21-22/h3-9,19H,10-11,18H2,1-2H3,(H,20,23).
What are the key properties of N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide?
N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methyl-3-pyrazol-1-ylpropyl)-6-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 166298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).