1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide

C17H24N4O — CID 10732996

IUPAC1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCCC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-13(2)21-15-8-4-3-7-14(15)16(19-21)17(22)18-9-12-20-10-5-6-11-20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)
InChIKeyBKUHBCKBDMWTFB-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.44
Rot. Bonds5

About 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide

1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide (PubChem CID 10732996) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
PubChem CID10732996
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NCCN2CCCC2)c2ccccc21
InChIInChI=1S/C17H24N4O/c1-13(2)21-15-8-4-3-7-14(15)16(19-21)17(22)18-9-12-20-10-5-6-11-20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)
InChIKeyBKUHBCKBDMWTFB-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide (CID 10732996) is 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide is CC(C)n1nc(C(=O)NCCN2CCCC2)c2ccccc21.
What is the InChIKey of 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
The InChIKey is BKUHBCKBDMWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)21-15-8-4-3-7-14(15)16(19-21)17(22)18-9-12-20-10-5-6-11-20/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22).
What are the key properties of 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide?
1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 10732996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).