1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C15H17Cl2N3 — CID 107384264

IUPAC1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCNC1CCCCc2c1cnn2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-18-13-4-2-3-5-14-11(13)9-19-20(14)15-7-6-10(16)8-12(15)17/h6-9,13,18H,2-5H2,1H3
InChIKeyDPGSAAFNEJEYMO-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.17
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384264) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384264
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCNC1CCCCc2c1cnn2-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-18-13-4-2-3-5-14-11(13)9-19-20(14)15-7-6-10(16)8-12(15)17/h6-9,13,18H,2-5H2,1H3
InChIKeyDPGSAAFNEJEYMO-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384304
1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384328
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356884
N-(4-chloro-2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43716682
2-chloro-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-fluorobenzamide
CID 26323589
4-N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
CID 70751501
4-N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-methylpyrimidine-2,4-diamine
CID 97134827
(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 97181762
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989
N-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441275
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384264) is 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is CNC1CCCCc2c1cnn2-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is DPGSAAFNEJEYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-18-13-4-2-3-5-14-11(13)9-19-20(14)15-7-6-10(16)8-12(15)17/h6-9,13,18H,2-5H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).