2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole

C14H20N4O — CID 175419518

IUPAC2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
SMILESCCCc1cnc(-c2cn[nH]c2C[C@H]2CCCO2)[nH]1
InChIInChI=1S/C14H20N4O/c1-2-4-10-8-15-14(17-10)12-9-16-18-13(12)7-11-5-3-6-19-11/h8-9,11H,2-7H2,1H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyAHQPAKFRWXFOOK-LLVKDONJSA-N
MW260.34 g/mol
LogP2.47
Rot. Bonds5

About 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole

2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole (PubChem CID 175419518) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
PubChem CID175419518
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole
SMILESCCCc1cnc(-c2cn[nH]c2C[C@H]2CCCO2)[nH]1
InChIInChI=1S/C14H20N4O/c1-2-4-10-8-15-14(17-10)12-9-16-18-13(12)7-11-5-3-6-19-11/h8-9,11H,2-7H2,1H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyAHQPAKFRWXFOOK-LLVKDONJSA-N
XLogP2.47
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The IUPAC name of 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole (CID 175419518) is 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole.
What is the SMILES notation for 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The canonical SMILES for 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole is CCCc1cnc(-c2cn[nH]c2C[C@H]2CCCO2)[nH]1.
What is the InChIKey of 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
The InChIKey is AHQPAKFRWXFOOK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-4-10-8-15-14(17-10)12-9-16-18-13(12)7-11-5-3-6-19-11/h8-9,11H,2-7H2,1H3,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole?
2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole has a molecular weight of 260.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazol-4-yl]-5-propyl-1H-imidazole is sourced from PubChem (CID 175419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).