[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine

C19H23Cl2N3O2 — CID 138457785

IUPAC[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine
SMILESCOc1cc(OC)c(Cl)c(C2CCc3c(C4(CN)CC4)n[nH]c3C2)c1Cl
InChIInChI=1S/C19H23Cl2N3O2/c1-25-13-8-14(26-2)17(21)15(16(13)20)10-3-4-11-12(7-10)23-24-18(11)19(9-22)5-6-19/h8,10H,3-7,9,22H2,1-2H3,(H,23,24)
InChIKeyDPIZABHFMHMRBT-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.00
Rot. Bonds5

About [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine

[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine (PubChem CID 138457785) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine
PubChem CID138457785
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine
SMILESCOc1cc(OC)c(Cl)c(C2CCc3c(C4(CN)CC4)n[nH]c3C2)c1Cl
InChIInChI=1S/C19H23Cl2N3O2/c1-25-13-8-14(26-2)17(21)15(16(13)20)10-3-4-11-12(7-10)23-24-18(11)19(9-22)5-6-19/h8,10H,3-7,9,22H2,1-2H3,(H,23,24)
InChIKeyDPIZABHFMHMRBT-UHFFFAOYSA-N
XLogP4.00
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine (CID 138457785) is [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine is COc1cc(OC)c(Cl)c(C2CCc3c(C4(CN)CC4)n[nH]c3C2)c1Cl.
What is the InChIKey of [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine?
The InChIKey is DPIZABHFMHMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O2/c1-25-13-8-14(26-2)17(21)15(16(13)20)10-3-4-11-12(7-10)23-24-18(11)19(9-22)5-6-19/h8,10H,3-7,9,22H2,1-2H3,(H,23,24).
What are the key properties of [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine?
[1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine has a molecular weight of 396.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 138457785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).