3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C23H24N6O — CID 110236779

IUPAC3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESO=C(CCn1nnc2ccccc21)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H24N6O/c30-23(13-14-28-22-11-5-4-9-20(22)26-27-28)25-19-10-6-12-21-18(19)15-24-29(21)16-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,25,30)
InChIKeyMNWWIWMDUTZEDE-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.26
Rot. Bonds6

About 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 110236779) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID110236779
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESO=C(CCn1nnc2ccccc21)NC1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H24N6O/c30-23(13-14-28-22-11-5-4-9-20(22)26-27-28)25-19-10-6-12-21-18(19)15-24-29(21)16-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,25,30)
InChIKeyMNWWIWMDUTZEDE-UHFFFAOYSA-N
XLogP3.26
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 92581553
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110236796
N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 46416506
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 110236779) is 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is O=C(CCn1nnc2ccccc21)NC1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is MNWWIWMDUTZEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-23(13-14-28-22-11-5-4-9-20(22)26-27-28)25-19-10-6-12-21-18(19)15-24-29(21)16-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,25,30).
What are the key properties of 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 400.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 110236779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).