3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C15H16ClN3O — CID 118738001

IUPAC3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCNC(=O)C1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C15H16ClN3O/c1-17-15(20)12-4-2-3-11-13(18-19-14(11)12)9-5-7-10(16)8-6-9/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19)
InChIKeyPKANRCPDIYUWAI-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738001) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738001
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESCNC(=O)C1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C15H16ClN3O/c1-17-15(20)12-4-2-3-11-13(18-19-14(11)12)9-5-7-10(16)8-6-9/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19)
InChIKeyPKANRCPDIYUWAI-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738001) is 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is CNC(=O)C1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is PKANRCPDIYUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-17-15(20)12-4-2-3-11-13(18-19-14(11)12)9-5-7-10(16)8-6-9/h5-8,12H,2-4H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).