1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C15H24N4O — CID 105098459

IUPAC1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H24N4O/c1-5-9-19-10-8-16-15(19)14(20)7-6-13-11(2)17-18(4)12(13)3/h8,10,14,20H,5-7,9H2,1-4H3
InChIKeyVLTZWFIHLVOCER-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds6

About 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 105098459) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID105098459
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C15H24N4O/c1-5-9-19-10-8-16-15(19)14(20)7-6-13-11(2)17-18(4)12(13)3/h8,10,14,20H,5-7,9H2,1-4H3
InChIKeyVLTZWFIHLVOCER-UHFFFAOYSA-N
XLogP2.31
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 105098459) is 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is CCCn1ccnc1C(O)CCc1c(C)nn(C)c1C.
What is the InChIKey of 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is VLTZWFIHLVOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-9-19-10-8-16-15(19)14(20)7-6-13-11(2)17-18(4)12(13)3/h8,10,14,20H,5-7,9H2,1-4H3.
What are the key properties of 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 105098459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).