1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine

C15H22N4 — CID 79237972

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1nn(C)c(C)c1Cn1ccc2c1CCCC2N
InChIInChI=1S/C15H22N4/c1-10-13(11(2)18(3)17-10)9-19-8-7-12-14(16)5-4-6-15(12)19/h7-8,14H,4-6,9,16H2,1-3H3
InChIKeyBXDJYULBRBATSJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.22
Rot. Bonds2

About 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 79237972) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
PubChem CID79237972
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1nn(C)c(C)c1Cn1ccc2c1CCCC2N
InChIInChI=1S/C15H22N4/c1-10-13(11(2)18(3)17-10)9-19-8-7-12-14(16)5-4-6-15(12)19/h7-8,14H,4-6,9,16H2,1-3H3
InChIKeyBXDJYULBRBATSJ-UHFFFAOYSA-N
XLogP2.22
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-indol-4-one
CID 79238113
1-(3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63960650
1-(6-methylsulfanylhexyl)-4,5,6,7-tetrahydroindol-4-amine
CID 114125100
1-[(2-methyl-3-nitrophenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 103113413
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 63362626
1-(oxan-4-ylmethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63712868
4-(4-amino-4,5,6,7-tetrahydroindol-1-yl)-N-cyclopropylbutanamide
CID 79401388
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
1-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 114401128
1-[(1,3-dimethylpyrazol-4-yl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 115991601

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine (CID 79237972) is 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is Cc1nn(C)c(C)c1Cn1ccc2c1CCCC2N.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is BXDJYULBRBATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-13(11(2)18(3)17-10)9-19-8-7-12-14(16)5-4-6-15(12)19/h7-8,14H,4-6,9,16H2,1-3H3.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine?
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 258.37 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 79237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).