6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide

C21H19N3O — CID 70007296

IUPAC6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(Cc1[nH]nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19N3O/c22-20(25)17-11-6-7-13-21(17,15-8-2-1-3-9-15)14-19-16-10-4-5-12-18(16)23-24-19/h1-13,17H,14H2,(H2,22,25)(H,23,24)
InChIKeyNZIAHGYHGDYAQR-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.27
Rot. Bonds4

About 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide

6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 70007296) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide
PubChem CID70007296
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(Cc1[nH]nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H19N3O/c22-20(25)17-11-6-7-13-21(17,15-8-2-1-3-9-15)14-19-16-10-4-5-12-18(16)23-24-19/h1-13,17H,14H2,(H2,22,25)(H,23,24)
InChIKeyNZIAHGYHGDYAQR-UHFFFAOYSA-N
XLogP3.27
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide (CID 70007296) is 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(Cc1[nH]nc2ccccc12)c1ccccc1.
What is the InChIKey of 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is NZIAHGYHGDYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-20(25)17-11-6-7-13-21(17,15-8-2-1-3-9-15)14-19-16-10-4-5-12-18(16)23-24-19/h1-13,17H,14H2,(H2,22,25)(H,23,24).
What are the key properties of 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide?
6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-indazol-3-ylmethyl)-6-phenylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70007296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).