N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H16ClN3 — CID 43254584

IUPACN-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccccc1Cl
InChIInChI=1S/C14H16ClN3/c1-18-14-8-4-7-12(10(14)9-16-18)17-13-6-3-2-5-11(13)15/h2-3,5-6,9,12,17H,4,7-8H2,1H3
InChIKeyKLVWACSVYHDYCZ-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.56
Rot. Bonds2

About N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43254584) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43254584
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2Nc1ccccc1Cl
InChIInChI=1S/C14H16ClN3/c1-18-14-8-4-7-12(10(14)9-16-18)17-13-6-3-2-5-11(13)15/h2-3,5-6,9,12,17H,4,7-8H2,1H3
InChIKeyKLVWACSVYHDYCZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]benzoic acid
CID 43254716
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81377325
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)isoquinolin-5-amine
CID 43681415
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1H-indazol-7-amine
CID 43731062
1-methyl-N-(4-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 63329281
N-(2,4-difluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254589
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
N-(4-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254699
N-(2-bromo-4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254693
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43254584) is N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KLVWACSVYHDYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18-14-8-4-7-12(10(14)9-16-18)17-13-6-3-2-5-11(13)15/h2-3,5-6,9,12,17H,4,7-8H2,1H3.
What are the key properties of N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43254584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).