1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C16H19Cl2N3 — CID 107384328

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCNC1CCCCc2c1cnn2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c1-2-19-15-5-3-4-6-16-12(15)10-20-21(16)11-7-8-13(17)14(18)9-11/h7-10,15,19H,2-6H2,1H3
InChIKeyDLYOZGMCHHPKPC-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.56
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384328) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384328
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCNC1CCCCc2c1cnn2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c1-2-19-15-5-3-4-6-16-12(15)10-20-21(16)11-7-8-13(17)14(18)9-11/h7-10,15,19H,2-6H2,1H3
InChIKeyDLYOZGMCHHPKPC-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356541
N-ethyl-1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 114797992
N-ethyl-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356388
1-(2,6-dimethylpyrimidin-4-yl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 79822222
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384264
N-[(4R)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]butanamide
CID 42359157
N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384471
1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
N-[(2-chlorophenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 45176390
3-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,1-diethylurea
CID 97123460
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384328) is 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is CCNC1CCCCc2c1cnn2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is DLYOZGMCHHPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-2-19-15-5-3-4-6-16-12(15)10-20-21(16)11-7-8-13(17)14(18)9-11/h7-10,15,19H,2-6H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 324.25 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).