[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

C18H18FIN4O — CID 164719046

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(C(O)c2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C18H18FIN4O/c1-11-6-17(24(22-11)16-5-4-14(19)7-15(16)20)18(25)13-8-21-23(10-13)9-12-2-3-12/h4-8,10,12,18,25H,2-3,9H2,1H3
InChIKeyAICFVVKQESPKLD-UHFFFAOYSA-N
MW452.27 g/mol
LogP3.61
Rot. Bonds5

About [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol

[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 164719046) has the molecular formula C18H18FIN4O and a molecular weight of 452.27 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
PubChem CID164719046
Molecular FormulaC18H18FIN4O
Molecular Weight452.27 g/mol
Exact Mass452.05
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(C(O)c2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C18H18FIN4O/c1-11-6-17(24(22-11)16-5-4-14(19)7-15(16)20)18(25)13-8-21-23(10-13)9-12-2-3-12/h4-8,10,12,18,25H,2-3,9H2,1H3
InChIKeyAICFVVKQESPKLD-UHFFFAOYSA-N
XLogP3.61
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-(4-Fluorophenyl)-4-phenylpyrazol-3-yl]methanol
CID 12886968
[1-(3-Fluorophenyl)-4-phenylpyrazol-3-yl]methanol
CID 12886969
[1-(2-Fluorophenyl)-4-phenylpyrazol-3-yl]methanol
CID 12886970
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-3-phenylbutan-1-ol
CID 21992392
3-Cyclohexyl-1-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]propan-1-ol
CID 21992393
1-[3-(4-Fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-methyl-3-phenylpropan-1-ol
CID 21992407
(3-Fluorophenyl)-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)methanol
CID 22574551
2-[5-[1-(4-Fluorophenyl)-4-iodopyrazol-3-yl]-2-pyridinyl]propan-2-ol
CID 58302276
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
2-Ethyl-1-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]butan-1-ol
CID 68593445
1-[1-(4-Fluorophenyl)-1H-pyrazol-5-yl]-2-methylpropan-1-ol
CID 68594222
1-[1-(3-Fluorophenyl)-4-phenylpyrazol-3-yl]ethanol
CID 91043375

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 164719046) is [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is Cc1cc(C(O)c2cnn(CC3CC3)c2)n(-c2ccc(F)cc2I)n1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The InChIKey is AICFVVKQESPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FIN4O/c1-11-6-17(24(22-11)16-5-4-14(19)7-15(16)20)18(25)13-8-21-23(10-13)9-12-2-3-12/h4-8,10,12,18,25H,2-3,9H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
[1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 452.27 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164719046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).