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

C19H20FIN4O — CID 164718623

IUPAC[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(C(O)c2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C19H20FIN4O/c1-11-7-18(25(22-11)17-6-5-14(20)8-16(17)21)19(26)15-10-24(23-12(15)2)9-13-3-4-13/h5-8,10,13,19,26H,3-4,9H2,1-2H3
InChIKeyBKUQTMJDNAUHQD-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.92
Rot. Bonds5

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

[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 164718623) has the molecular formula C19H20FIN4O and a molecular weight of 466.30 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
PubChem CID164718623
Molecular FormulaC19H20FIN4O
Molecular Weight466.30 g/mol
Exact Mass466.07
IUPAC Name[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
SMILESCc1cc(C(O)c2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C19H20FIN4O/c1-11-7-18(25(22-11)17-6-5-14(20)8-16(17)21)19(26)15-10-24(23-12(15)2)9-13-3-4-13/h5-8,10,13,19,26H,3-4,9H2,1-2H3
InChIKeyBKUQTMJDNAUHQD-UHFFFAOYSA-N
XLogP3.92
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 164718623) is [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is Cc1cc(C(O)c2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1.
What is the InChIKey of [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The InChIKey is BKUQTMJDNAUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN4O/c1-11-7-18(25(22-11)17-6-5-14(20)8-16(17)21)19(26)15-10-24(23-12(15)2)9-13-3-4-13/h5-8,10,13,19,26H,3-4,9H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 466.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164718623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).