N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C17H19N3O — CID 43435422

IUPACN-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cc2ccccc2o1
InChIInChI=1S/C17H19N3O/c1-20-16-7-4-6-15(14(16)11-19-20)18-10-13-9-12-5-2-3-8-17(12)21-13/h2-3,5,8-9,11,15,18H,4,6-7,10H2,1H3
InChIKeyMJLYDEIZPRCETK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.33
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43435422) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43435422
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCc1cc2ccccc2o1
InChIInChI=1S/C17H19N3O/c1-20-16-7-4-6-15(14(16)11-19-20)18-10-13-9-12-5-2-3-8-17(12)21-13/h2-3,5,8-9,11,15,18H,4,6-7,10H2,1H3
InChIKeyMJLYDEIZPRCETK-UHFFFAOYSA-N
XLogP3.33
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(naphthalen-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 86776407
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
1-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787465
5-[[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]methyl]furan-2-carboxylic acid
CID 63316834
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-benzoxazol-2-amine
CID 47053661
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 106393321
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
1-methyl-N-[(2,4,5-trifluorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 103792573

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43435422) is N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is MJLYDEIZPRCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-16-7-4-6-15(14(16)11-19-20)18-10-13-9-12-5-2-3-8-17(12)21-13/h2-3,5,8-9,11,15,18H,4,6-7,10H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43435422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).