N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C14H15N3O — CID 175942730

IUPACN-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILES[2H]NC(=O)c1n[nH]c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C14H15N3O/c15-14(18)13-11-8-10(6-7-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,15,18)(H,16,17)/i/hD
InChIKeyWMDRWJOKVRIKPZ-DYCDLGHISA-N
MW242.30 g/mol
LogP1.78
Rot. Bonds2

About N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 175942730) has the molecular formula C14H15N3O and a molecular weight of 242.30 g/mol. Its IUPAC name is N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID175942730
Molecular FormulaC14H15N3O
Molecular Weight242.30 g/mol
Exact Mass242.13
IUPAC NameN-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILES[2H]NC(=O)c1n[nH]c2c1CC(c1ccccc1)CC2
InChIInChI=1S/C14H15N3O/c15-14(18)13-11-8-10(6-7-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,15,18)(H,16,17)/i/hD
InChIKeyWMDRWJOKVRIKPZ-DYCDLGHISA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 175942730) is N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is [2H]NC(=O)c1n[nH]c2c1CC(c1ccccc1)CC2.
What is the InChIKey of N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WMDRWJOKVRIKPZ-DYCDLGHISA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)13-11-8-10(6-7-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,15,18)(H,16,17)/i/hD.
What are the key properties of N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 175942730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).