N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C17H19N5O — CID 160652856

IUPACN-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCCC4)c3c2)cn1
InChIInChI=1S/C17H19N5O/c1-22-10-12(9-18-22)11-6-7-15-14(8-11)16(21-20-15)17(23)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23)(H,20,21)
InChIKeyRKQNUEQNKOHNMS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds3

About N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 160652856) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID160652856
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCCC4)c3c2)cn1
InChIInChI=1S/C17H19N5O/c1-22-10-12(9-18-22)11-6-7-15-14(8-11)16(21-20-15)17(23)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23)(H,20,21)
InChIKeyRKQNUEQNKOHNMS-UHFFFAOYSA-N
XLogP2.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 160652856) is N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NC4CCCC4)c3c2)cn1.
What is the InChIKey of N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is RKQNUEQNKOHNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-22-10-12(9-18-22)11-6-7-15-14(8-11)16(21-20-15)17(23)19-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 160652856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).