5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide

C16H23N7O — CID 75397487

IUPAC5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCc2nnc3n2CCC3)cnn1C1CCCCC1
InChIInChI=1S/C16H23N7O/c17-15-12(9-19-23(15)11-5-2-1-3-6-11)16(24)18-10-14-21-20-13-7-4-8-22(13)14/h9,11H,1-8,10,17H2,(H,18,24)
InChIKeyHEEUPYISAWCEGI-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.44
Rot. Bonds4

About 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide

5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 75397487) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID75397487
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCc2nnc3n2CCC3)cnn1C1CCCCC1
InChIInChI=1S/C16H23N7O/c17-15-12(9-19-23(15)11-5-2-1-3-6-11)16(24)18-10-14-21-20-13-7-4-8-22(13)14/h9,11H,1-8,10,17H2,(H,18,24)
InChIKeyHEEUPYISAWCEGI-UHFFFAOYSA-N
XLogP1.44
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide (CID 75397487) is 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide is Nc1c(C(=O)NCc2nnc3n2CCC3)cnn1C1CCCCC1.
What is the InChIKey of 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HEEUPYISAWCEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c17-15-12(9-19-23(15)11-5-2-1-3-6-11)16(24)18-10-14-21-20-13-7-4-8-22(13)14/h9,11H,1-8,10,17H2,(H,18,24).
What are the key properties of 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide?
5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75397487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).