N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide

C15H21N5O — CID 56645688

IUPACN',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide
SMILESCc1c2cccc(C(=O)NN(C)C)c2nn1C1CCCN1
InChIInChI=1S/C15H21N5O/c1-10-11-6-4-7-12(15(21)18-19(2)3)14(11)17-20(10)13-8-5-9-16-13/h4,6-7,13,16H,5,8-9H2,1-3H3,(H,18,21)
InChIKeyNYKJRTWMSCUDLO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.43
Rot. Bonds3

About N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide

N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide (PubChem CID 56645688) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide.

Molecular Properties

Compound NameN',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide
PubChem CID56645688
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide
SMILESCc1c2cccc(C(=O)NN(C)C)c2nn1C1CCCN1
InChIInChI=1S/C15H21N5O/c1-10-11-6-4-7-12(15(21)18-19(2)3)14(11)17-20(10)13-8-5-9-16-13/h4,6-7,13,16H,5,8-9H2,1-3H3,(H,18,21)
InChIKeyNYKJRTWMSCUDLO-UHFFFAOYSA-N
XLogP1.43
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide?
The IUPAC name of N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide (CID 56645688) is N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide.
What is the SMILES notation for N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide?
The canonical SMILES for N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide is Cc1c2cccc(C(=O)NN(C)C)c2nn1C1CCCN1.
What is the InChIKey of N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide?
The InChIKey is NYKJRTWMSCUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-11-6-4-7-12(15(21)18-19(2)3)14(11)17-20(10)13-8-5-9-16-13/h4,6-7,13,16H,5,8-9H2,1-3H3,(H,18,21).
What are the key properties of N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide?
N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide has a molecular weight of 287.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',3-trimethyl-2-pyrrolidin-2-ylindazole-7-carbohydrazide is sourced from PubChem (CID 56645688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).