5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide

C13H15N5O3 — CID 119510662

IUPAC5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H15N5O3/c19-13(15-7-8-2-1-5-14-8)12-10-6-9(18(20)21)3-4-11(10)16-17-12/h3-4,6,8,14H,1-2,5,7H2,(H,15,19)(H,16,17)
InChIKeyWCFRLZGACZRIHQ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.95
Rot. Bonds4

About 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide

5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 119510662) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID119510662
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCCN1)c1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H15N5O3/c19-13(15-7-8-2-1-5-14-8)12-10-6-9(18(20)21)3-4-11(10)16-17-12/h3-4,6,8,14H,1-2,5,7H2,(H,15,19)(H,16,17)
InChIKeyWCFRLZGACZRIHQ-UHFFFAOYSA-N
XLogP0.95
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-5-nitro-1H-indazole-3-carboxamide
CID 35375238
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-(4-aminocyclohexyl)-5-nitro-1H-indazole-3-carboxamide
CID 119475210
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 86946002
N-[(2S)-1-aminopropan-2-yl]-5-nitro-1H-indazole-3-carboxamide;hydrochloride
CID 120504848
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670
5-nitro-N-(3-piperazin-1-ylpropyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119391354
N-[2-[(S)-tert-butylsulfinyl]ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 95767268
N-(4-hydroxy-2,2-dimethylpentyl)-5-nitro-1H-indazole-3-carboxamide
CID 111480035
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide (CID 119510662) is 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide is O=C(NCC1CCCN1)c1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is WCFRLZGACZRIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-13(15-7-8-2-1-5-14-8)12-10-6-9(18(20)21)3-4-11(10)16-17-12/h3-4,6,8,14H,1-2,5,7H2,(H,15,19)(H,16,17).
What are the key properties of 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide?
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 119510662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).