3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole

C13H13ClN2 — CID 2323002

IUPAC3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole
SMILESClc1c2c(nn1-c1ccccc1)CCCC2
InChIInChI=1S/C13H13ClN2/c14-13-11-8-4-5-9-12(11)15-16(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXRLBCYHQJCTCTI-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.40
Rot. Bonds1

About 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole

3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole (PubChem CID 2323002) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole
PubChem CID2323002
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole
SMILESClc1c2c(nn1-c1ccccc1)CCCC2
InChIInChI=1S/C13H13ClN2/c14-13-11-8-4-5-9-12(11)15-16(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXRLBCYHQJCTCTI-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
2-Chloro-6-(3,5-dimethylpyrazol-1-yl)benzonitrile
CID 2804374
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6483733
7-chloro-3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazine
CID 848986
7-chloro-3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazine
CID 848987
3-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 9883653
3-(4-Chloro-phenyl)-1-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 9948569
1,5-Bis-(4-chloro-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10021211
1,3-Diphenyl-4,5,6,7-tetrahydro-1H-indazole
CID 15453871
3-(4-chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370597

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole (CID 2323002) is 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole is Clc1c2c(nn1-c1ccccc1)CCCC2.
What is the InChIKey of 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole?
The InChIKey is XRLBCYHQJCTCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-13-11-8-4-5-9-12(11)15-16(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole?
3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole has a molecular weight of 232.71 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-phenyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 2323002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).