3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole

C17H25N7 — CID 137389698

IUPAC3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole
SMILESCC(Cc1ccn(C(C)Cc2ncn(C(C)C)n2)n1)n1ccnc1
InChIInChI=1S/C17H25N7/c1-13(2)24-12-19-17(21-24)10-15(4)23-7-5-16(20-23)9-14(3)22-8-6-18-11-22/h5-8,11-15H,9-10H2,1-4H3
InChIKeyOKBQAKPNTZHOIM-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.86
Rot. Bonds7

About 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole

3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole (PubChem CID 137389698) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole
PubChem CID137389698
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole
SMILESCC(Cc1ccn(C(C)Cc2ncn(C(C)C)n2)n1)n1ccnc1
InChIInChI=1S/C17H25N7/c1-13(2)24-12-19-17(21-24)10-15(4)23-7-5-16(20-23)9-14(3)22-8-6-18-11-22/h5-8,11-15H,9-10H2,1-4H3
InChIKeyOKBQAKPNTZHOIM-UHFFFAOYSA-N
XLogP2.86
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole (CID 137389698) is 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole is CC(Cc1ccn(C(C)Cc2ncn(C(C)C)n2)n1)n1ccnc1.
What is the InChIKey of 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole?
The InChIKey is OKBQAKPNTZHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-13(2)24-12-19-17(21-24)10-15(4)23-7-5-16(20-23)9-14(3)22-8-6-18-11-22/h5-8,11-15H,9-10H2,1-4H3.
What are the key properties of 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole?
3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole has a molecular weight of 327.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-imidazol-1-ylpropyl)pyrazol-1-yl]propyl]-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 137389698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).