5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole

C6H5FN4 — CID 168866436

IUPAC5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole
SMILESFc1[nH]ncc1-c1cnc[nH]1
InChIInChI=1S/C6H5FN4/c7-6-4(1-10-11-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,10,11)
InChIKeyHOLWKVUFSKNVSF-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.94
Rot. Bonds1

About 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole

5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole (PubChem CID 168866436) has the molecular formula C6H5FN4 and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole
PubChem CID168866436
Molecular FormulaC6H5FN4
Molecular Weight152.13 g/mol
Exact Mass152.05
IUPAC Name5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole
SMILESFc1[nH]ncc1-c1cnc[nH]1
InChIInChI=1S/C6H5FN4/c7-6-4(1-10-11-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,10,11)
InChIKeyHOLWKVUFSKNVSF-UHFFFAOYSA-N
XLogP0.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-imidazol-4-yl)-1-methyl-1H-pyrazole
CID 67500785
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131943882
2-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-imidazole
CID 13663751
1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole;hydrochloride
CID 67500182
1-(difluoromethyl)-4-(1H-imidazol-5-yl)pyrazole
CID 67500183
1-(difluoromethyl)-5-(1H-imidazol-5-yl)triazole
CID 165376979
1-(difluoromethyl)-5-(1H-pyrazol-4-yl)imidazole
CID 167422337
3-[5-(1-Ethylpyrazol-4-yl)imidazol-1-yl]-2,2-difluoropropan-1-amine
CID 103571214
2,2-Difluoro-3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
CID 103573788
2,2-Difluoro-3-[5-(1-methylpyrazol-4-yl)imidazol-1-yl]propan-1-amine
CID 114384610
2-(1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-imidazole
CID 137202712
5-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazol-2-amine
CID 165678396

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole?
The IUPAC name of 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole (CID 168866436) is 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole?
The canonical SMILES for 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole is Fc1[nH]ncc1-c1cnc[nH]1.
What is the InChIKey of 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole?
The InChIKey is HOLWKVUFSKNVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN4/c7-6-4(1-10-11-6)5-2-8-3-9-5/h1-3H,(H,8,9)(H,10,11).
What are the key properties of 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole?
5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole has a molecular weight of 152.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-imidazol-5-yl)-1H-pyrazole is sourced from PubChem (CID 168866436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).