1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C14H17N3O — CID 44819704

IUPAC1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(-n2ncc3c2CCCC3N)cc1
InChIInChI=1S/C14H17N3O/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16-17/h5-9,13H,2-4,15H2,1H3
InChIKeyAHVNFUAAVVNUGD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine

1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 44819704) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID44819704
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(-n2ncc3c2CCCC3N)cc1
InChIInChI=1S/C14H17N3O/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16-17/h5-9,13H,2-4,15H2,1H3
InChIKeyAHVNFUAAVVNUGD-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 129104721
(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 94133505
1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384308
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
1-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384454
1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861524
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51494498
N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 96730162
1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384319
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 51494518

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 44819704) is 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine is COc1ccc(-n2ncc3c2CCCC3N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is AHVNFUAAVVNUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-11-7-5-10(6-8-11)17-14-4-2-3-13(15)12(14)9-16-17/h5-9,13H,2-4,15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 44819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).