N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide

C23H26N6O2 — CID 91951649

IUPACN-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cc(OC(C)C)ncn1
InChIInChI=1S/C23H26N6O2/c1-16(2)31-22-13-21(25-15-26-22)29-17(3)19(14-27-29)23(30)24-10-6-11-28-12-9-18-7-4-5-8-20(18)28/h4-5,7-9,12-16H,6,10-11H2,1-3H3,(H,24,30)
InChIKeyZMYQFUBBIMQOGW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.53
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide

N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 91951649) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID91951649
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cc(OC(C)C)ncn1
InChIInChI=1S/C23H26N6O2/c1-16(2)31-22-13-21(25-15-26-22)29-17(3)19(14-27-29)23(30)24-10-6-11-28-12-9-18-7-4-5-8-20(18)28/h4-5,7-9,12-16H,6,10-11H2,1-3H3,(H,24,30)
InChIKeyZMYQFUBBIMQOGW-UHFFFAOYSA-N
XLogP3.53
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(3-indol-1-ylpropyl)-5-methylpyrazole-4-carboxamide
CID 55581931
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CID 24641440
N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 166207086
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
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CID 113218212
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 70782360
N-(3-indol-1-ylpropyl)-2-methoxy-5-sulfamoylbenzamide
CID 17401615
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2-bromo-N-(3-indol-1-ylpropyl)-5-sulfamoylbenzamide
CID 25393245
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide (CID 91951649) is N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCn2ccc3ccccc32)cnn1-c1cc(OC(C)C)ncn1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is ZMYQFUBBIMQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16(2)31-22-13-21(25-15-26-22)29-17(3)19(14-27-29)23(30)24-10-6-11-28-12-9-18-7-4-5-8-20(18)28/h4-5,7-9,12-16H,6,10-11H2,1-3H3,(H,24,30).
What are the key properties of N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide?
N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-5-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 91951649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).