3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C14H13ClFN3O — CID 118738006

IUPAC3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Cl)c(F)c3)n[nH]c21
InChIInChI=1S/C14H13ClFN3O/c15-10-5-4-7(6-11(10)16)12-8-2-1-3-9(14(17)20)13(8)19-18-12/h4-6,9H,1-3H2,(H2,17,20)(H,18,19)
InChIKeyHGQZMWBIINZNDS-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.77
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 118738006) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID118738006
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESNC(=O)C1CCCc2c(-c3ccc(Cl)c(F)c3)n[nH]c21
InChIInChI=1S/C14H13ClFN3O/c15-10-5-4-7(6-11(10)16)12-8-2-1-3-9(14(17)20)13(8)19-18-12/h4-6,9H,1-3H2,(H2,17,20)(H,18,19)
InChIKeyHGQZMWBIINZNDS-UHFFFAOYSA-N
XLogP2.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N'-(4-chlorobenzylidene)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861960
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 2767228
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738000
3-(4-Chlorophenyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-8-carboxamide
CID 118738024
3-(4-Chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738026
3-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738004
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738010
2-(5-Chloro-1H-Indazol-3-Yl)-Acetamide
CID 70827781
3-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118737999
3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738001
3-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738002
3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738003

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 118738006) is 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is NC(=O)C1CCCc2c(-c3ccc(Cl)c(F)c3)n[nH]c21.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is HGQZMWBIINZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-10-5-4-7(6-11(10)16)12-8-2-1-3-9(14(17)20)13(8)19-18-12/h4-6,9H,1-3H2,(H2,17,20)(H,18,19).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 293.73 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 118738006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).