[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

C18H15N7O — CID 135162424

IUPAC[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2c(c1)NNN2
InChIInChI=1S/C18H15N7O/c19-18-12(17(26)16-7-10-3-1-2-4-13(10)21-16)9-20-25(18)11-5-6-14-15(8-11)23-24-22-14/h1-9,21-24H,19H2
InChIKeyFJUYDJJENRIBSA-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.42
Rot. Bonds3

About [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone

[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (PubChem CID 135162424) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
PubChem CID135162424
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone
SMILESNc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2c(c1)NNN2
InChIInChI=1S/C18H15N7O/c19-18-12(17(26)16-7-10-3-1-2-4-13(10)21-16)9-20-25(18)11-5-6-14-15(8-11)23-24-22-14/h1-9,21-24H,19H2
InChIKeyFJUYDJJENRIBSA-UHFFFAOYSA-N
XLogP2.42
TPSA112.79 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone (CID 135162424) is [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2c(c1)NNN2.
What is the InChIKey of [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
The InChIKey is FJUYDJJENRIBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-18-12(17(26)16-7-10-3-1-2-4-13(10)21-16)9-20-25(18)11-5-6-14-15(8-11)23-24-22-14/h1-9,21-24H,19H2.
What are the key properties of [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone?
[5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone has a molecular weight of 345.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,3-dihydro-1H-benzotriazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 135162424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).