3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C14H13Cl2N3O — CID 118738005

IUPAC3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Cl)cc3Cl)n[nH]c21
InChIInChI=1S/C14H13Cl2N3O/c15-7-4-5-8(11(16)6-7)12-9-2-1-3-10(14(17)20)13(9)19-18-12/h4-6,10H,1-3H2,(H2,17,20)(H,18,19)
InChIKeyCLHALVCAMKAGEZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.29
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738005) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738005
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Cl)cc3Cl)n[nH]c21
InChIInChI=1S/C14H13Cl2N3O/c15-7-4-5-8(11(16)6-7)12-9-2-1-3-10(14(17)20)13(9)19-18-12/h4-6,10H,1-3H2,(H2,17,20)(H,18,19)
InChIKeyCLHALVCAMKAGEZ-UHFFFAOYSA-N
XLogP3.29
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738005) is 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccc(Cl)cc3Cl)n[nH]c21.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is CLHALVCAMKAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-7-4-5-8(11(16)6-7)12-9-2-1-3-10(14(17)20)13(9)19-18-12/h4-6,10H,1-3H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 310.18 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).