N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

C15H20N6O — CID 136567360

IUPACN-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCn1nnc2c1CC(C(=O)Nc1cnn(C3CCC3)c1)CC2
InChIInChI=1S/C15H20N6O/c1-20-14-7-10(5-6-13(14)18-19-20)15(22)17-11-8-16-21(9-11)12-3-2-4-12/h8-10,12H,2-7H2,1H3,(H,17,22)
InChIKeyMZHZRQBKAMZWDB-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.48
Rot. Bonds3

About N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (PubChem CID 136567360) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
PubChem CID136567360
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
SMILESCn1nnc2c1CC(C(=O)Nc1cnn(C3CCC3)c1)CC2
InChIInChI=1S/C15H20N6O/c1-20-14-7-10(5-6-13(14)18-19-20)15(22)17-11-8-16-21(9-11)12-3-2-4-12/h8-10,12H,2-7H2,1H3,(H,17,22)
InChIKeyMZHZRQBKAMZWDB-UHFFFAOYSA-N
XLogP1.48
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide (CID 136567360) is N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is Cn1nnc2c1CC(C(=O)Nc1cnn(C3CCC3)c1)CC2.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
The InChIKey is MZHZRQBKAMZWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-14-7-10(5-6-13(14)18-19-20)15(22)17-11-8-16-21(9-11)12-3-2-4-12/h8-10,12H,2-7H2,1H3,(H,17,22).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-3-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide is sourced from PubChem (CID 136567360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).