N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide

C13H13N5O — CID 122590722

IUPACN-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H13N5O/c14-8-18-6-5-9(7-18)15-13(19)12-10-3-1-2-4-11(10)16-17-12/h1-4,9H,5-7H2,(H,15,19)(H,16,17)/t9-/m1/s1
InChIKeyNPDSZJZAJHCGKC-SECBINFHSA-N
MW255.28 g/mol
LogP0.85
Rot. Bonds2

About N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide

N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 122590722) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide
PubChem CID122590722
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC NameN-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide
SMILESN#CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C13H13N5O/c14-8-18-6-5-9(7-18)15-13(19)12-10-3-1-2-4-11(10)16-17-12/h1-4,9H,5-7H2,(H,15,19)(H,16,17)/t9-/m1/s1
InChIKeyNPDSZJZAJHCGKC-SECBINFHSA-N
XLogP0.85
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide (CID 122590722) is N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide is N#CN1CC[C@@H](NC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is NPDSZJZAJHCGKC-SECBINFHSA-N. The full InChI is InChI=1S/C13H13N5O/c14-8-18-6-5-9(7-18)15-13(19)12-10-3-1-2-4-11(10)16-17-12/h1-4,9H,5-7H2,(H,15,19)(H,16,17)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide?
N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyanopyrrolidin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 122590722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).