3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide

C14H17N5O — CID 166261429

IUPAC3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cn(C)nc3N)cc21
InChIInChI=1S/C14H17N5O/c1-18-6-5-9-3-4-10(7-12(9)18)16-14(20)11-8-19(2)17-13(11)15/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeySIPITQKAMBKXAX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.25
Rot. Bonds2

About 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide

3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide (PubChem CID 166261429) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
PubChem CID166261429
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3cn(C)nc3N)cc21
InChIInChI=1S/C14H17N5O/c1-18-6-5-9-3-4-10(7-12(9)18)16-14(20)11-8-19(2)17-13(11)15/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17)(H,16,20)
InChIKeySIPITQKAMBKXAX-UHFFFAOYSA-N
XLogP1.25
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-amino-1-methylpyrazole-4-carboxamide
CID 166289148
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
2,2,2-trifluoro-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 153408429
3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
CID 110729223
2-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]propanamide
CID 175745823
N-(1-methyl-2,3-dihydroindol-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 155946788
2-(4-bromo-2-hydroxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)acetamide
CID 167811613
3-[3-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]phenyl]propanoic acid
CID 122088927
methyl 5-[(1-methyl-2,3-dihydroindol-6-yl)amino]-2-nitrobenzoate
CID 133435607
9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994058
2,5-dimethyl-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)thiophene-3-carboxamide
CID 71888483

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide (CID 166261429) is 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide is CN1CCc2ccc(NC(=O)c3cn(C)nc3N)cc21.
What is the InChIKey of 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide?
The InChIKey is SIPITQKAMBKXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-6-5-9-3-4-10(7-12(9)18)16-14(20)11-8-19(2)17-13(11)15/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17)(H,16,20).
What are the key properties of 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide?
3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-(1-methyl-2,3-dihydroindol-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 166261429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).