1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide

C16H22N4O — CID 118788228

IUPAC1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NCCN1CCCC1)nn2C
InChIInChI=1S/C16H22N4O/c1-12-5-6-14-13(11-12)15(18-19(14)2)16(21)17-7-10-20-8-3-4-9-20/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,21)
InChIKeyAMFZTVFGHHEWDN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.71
Rot. Bonds4

About 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide

1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide (PubChem CID 118788228) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
PubChem CID118788228
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(=O)NCCN1CCCC1)nn2C
InChIInChI=1S/C16H22N4O/c1-12-5-6-14-13(11-12)15(18-19(14)2)16(21)17-7-10-20-8-3-4-9-20/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,21)
InChIKeyAMFZTVFGHHEWDN-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-1,5-dimethylindazole-3-carboxamide
CID 95227494
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
4-amino-6-methyl-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
CID 10828011
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
3-(3,4-dimethylphenyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 812224

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide (CID 118788228) is 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide is Cc1ccc2c(c1)c(C(=O)NCCN1CCCC1)nn2C.
What is the InChIKey of 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The InChIKey is AMFZTVFGHHEWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-6-14-13(11-12)15(18-19(14)2)16(21)17-7-10-20-8-3-4-9-20/h5-6,11H,3-4,7-10H2,1-2H3,(H,17,21).
What are the key properties of 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 118788228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).