1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C14H19N3S — CID 43435410

IUPAC1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccsc1CNC1CCCc2c1cnn2C
InChIInChI=1S/C14H19N3S/c1-10-6-7-18-14(10)9-15-12-4-3-5-13-11(12)8-16-17(13)2/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyAAZVITNDYBVRJJ-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.96
Rot. Bonds3

About 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43435410) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43435410
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ccsc1CNC1CCCc2c1cnn2C
InChIInChI=1S/C14H19N3S/c1-10-6-7-18-14(10)9-15-12-4-3-5-13-11(12)8-16-17(13)2/h6-8,12,15H,3-5,9H2,1-2H3
InChIKeyAAZVITNDYBVRJJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43435410) is 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1ccsc1CNC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is AAZVITNDYBVRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-6-7-18-14(10)9-15-12-4-3-5-13-11(12)8-16-17(13)2/h6-8,12,15H,3-5,9H2,1-2H3.
What are the key properties of 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 261.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylthiophen-2-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43435410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).