4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

C20H25FN4 — CID 92612156

IUPAC4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2[C@@H](CC)c2ccc(F)cc2)c1C
InChIInChI=1S/C20H25FN4/c1-5-11-25-15(4)20(14(3)23-25)19-12-22-13-24(19)18(6-2)16-7-9-17(21)10-8-16/h7-10,12-13,18H,5-6,11H2,1-4H3/t18-/m0/s1
InChIKeyAIOAHZMKKHOVFI-SFHVURJKSA-N
MW340.45 g/mol
LogP4.91
Rot. Bonds6

About 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (PubChem CID 92612156) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
PubChem CID92612156
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2[C@@H](CC)c2ccc(F)cc2)c1C
InChIInChI=1S/C20H25FN4/c1-5-11-25-15(4)20(14(3)23-25)19-12-22-13-24(19)18(6-2)16-7-9-17(21)10-8-16/h7-10,12-13,18H,5-6,11H2,1-4H3/t18-/m0/s1
InChIKeyAIOAHZMKKHOVFI-SFHVURJKSA-N
XLogP4.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
CID 171667769
4-[3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612183
4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612154
4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 46980596
2-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-fluorobenzoic acid
CID 63804811
3,4-dimethyl-6-(3-propan-2-ylimidazol-4-yl)-2-propylpyrazolo[3,4-b]pyridine
CID 170508115
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
5-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 79048835
2-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-fluorobenzoic acid
CID 114560393
4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-fluorobenzoic acid
CID 63805510
5-(3-ethyl-2-propylphenyl)-1-[1-(4-fluorophenyl)ethyl]imidazole
CID 123305692
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The IUPAC name of 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (CID 92612156) is 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.
What is the SMILES notation for 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The canonical SMILES for 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is CCCn1nc(C)c(-c2cncn2[C@@H](CC)c2ccc(F)cc2)c1C.
What is the InChIKey of 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The InChIKey is AIOAHZMKKHOVFI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25FN4/c1-5-11-25-15(4)20(14(3)23-25)19-12-22-13-24(19)18(6-2)16-7-9-17(21)10-8-16/h7-10,12-13,18H,5-6,11H2,1-4H3/t18-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole has a molecular weight of 340.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is sourced from PubChem (CID 92612156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).