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

C14H14ClN3O — CID 118738003

IUPAC3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccccc3Cl)n[nH]c21
InChIInChI=1S/C14H14ClN3O/c15-11-7-2-1-4-8(11)12-9-5-3-6-10(14(16)19)13(9)18-17-12/h1-2,4,7,10H,3,5-6H2,(H2,16,19)(H,17,18)
InChIKeyQVPCGRLERDQRCS-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.64
Rot. Bonds2

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

3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738003) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738003
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccccc3Cl)n[nH]c21
InChIInChI=1S/C14H14ClN3O/c15-11-7-2-1-4-8(11)12-9-5-3-6-10(14(16)19)13(9)18-17-12/h1-2,4,7,10H,3,5-6H2,(H2,16,19)(H,17,18)
InChIKeyQVPCGRLERDQRCS-UHFFFAOYSA-N
XLogP2.64
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738003) is 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccccc3Cl)n[nH]c21.
What is the InChIKey of 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is QVPCGRLERDQRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-7-2-1-4-8(11)12-9-5-3-6-10(14(16)19)13(9)18-17-12/h1-2,4,7,10H,3,5-6H2,(H2,16,19)(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).