3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene

C17H21N5 — CID 138809885

IUPAC3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
SMILESc1c(-c2nnc3n2C2CC4CC(CC3C4)C2)n[nH]c1C1CC1
InChIInChI=1S/C17H21N5/c1-2-11(1)14-8-15(19-18-14)17-21-20-16-12-4-9-3-10(5-12)7-13(6-9)22(16)17/h8-13H,1-7H2,(H,18,19)
InChIKeyZVAHWQVDXMZGCO-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.39
Rot. Bonds2

About 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene

3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene (PubChem CID 138809885) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
PubChem CID138809885
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene
SMILESc1c(-c2nnc3n2C2CC4CC(CC3C4)C2)n[nH]c1C1CC1
InChIInChI=1S/C17H21N5/c1-2-11(1)14-8-15(19-18-14)17-21-20-16-12-4-9-3-10(5-12)7-13(6-9)22(16)17/h8-13H,1-7H2,(H,18,19)
InChIKeyZVAHWQVDXMZGCO-UHFFFAOYSA-N
XLogP3.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene (CID 138809885) is 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene.
What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene is c1c(-c2nnc3n2C2CC4CC(CC3C4)C2)n[nH]c1C1CC1.
What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
The InChIKey is ZVAHWQVDXMZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-2-11(1)14-8-15(19-18-14)17-21-20-16-12-4-9-3-10(5-12)7-13(6-9)22(16)17/h8-13H,1-7H2,(H,18,19).
What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene?
3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene has a molecular weight of 295.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene is sourced from PubChem (CID 138809885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).