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

C15H19N3O — CID 107384454

IUPAC1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCOc1ccccc1-n1ncc2c1CCCCC2N
InChIInChI=1S/C15H19N3O/c1-19-15-9-5-4-8-14(15)18-13-7-3-2-6-12(16)11(13)10-17-18/h4-5,8-10,12H,2-3,6-7,16H2,1H3
InChIKeyLKXOIZWSIVXSBY-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds2

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

1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384454) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384454
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCOc1ccccc1-n1ncc2c1CCCCC2N
InChIInChI=1S/C15H19N3O/c1-19-15-9-5-4-8-14(15)18-13-7-3-2-6-12(16)11(13)10-17-18/h4-5,8-10,12H,2-3,6-7,16H2,1H3
InChIKeyLKXOIZWSIVXSBY-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
1-(6-methylpyridazin-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384433
1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384319
(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 94133505
1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861524
1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384395
[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]methanamine
CID 82593098
N-[(4R)-1-(2-methoxyphenyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-4-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 172557852
(2R)-2-[2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 97136227

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384454) is 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is COc1ccccc1-n1ncc2c1CCCCC2N.
What is the InChIKey of 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is LKXOIZWSIVXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-9-5-4-8-14(15)18-13-7-3-2-6-12(16)11(13)10-17-18/h4-5,8-10,12H,2-3,6-7,16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).