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

C38H40F2I2N8O — CID 164988637

IUPAC1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[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.Cc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C19H20FIN4O.C19H20FIN4/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;1-12-7-17(25(22-12)19-6-5-16(20)9-18(19)21)8-15-11-24(23-13(15)2)10-14-3-4-14/h5-8,10,13,19,26H,3-4,9H2,1-2H3;5-7,9,11,14H,3-4,8,10H2,1-2H3
InChIKeyGNKSRMXBXOZJJW-UHFFFAOYSA-N
MW916.60 g/mol
LogP8.35
Rot. Bonds10

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

1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (PubChem CID 164988637) has the molecular formula C38H40F2I2N8O and a molecular weight of 916.60 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
PubChem CID164988637
Molecular FormulaC38H40F2I2N8O
Molecular Weight916.60 g/mol
Exact Mass916.14
IUPAC Name1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[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.Cc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1
InChIInChI=1S/C19H20FIN4O.C19H20FIN4/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;1-12-7-17(25(22-12)19-6-5-16(20)9-18(19)21)8-15-11-24(23-13(15)2)10-14-3-4-14/h5-8,10,13,19,26H,3-4,9H2,1-2H3;5-7,9,11,14H,3-4,8,10H2,1-2H3
InChIKeyGNKSRMXBXOZJJW-UHFFFAOYSA-N
XLogP8.35
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.60
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol with MolForge

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Related Compounds

[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol
CID 164718575
[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 164718604
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164718608
[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164718623
[1-(cyclopropylmethyl)pyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164718647
[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 164718860
[1-(Cyclopropylmethyl)pyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol
CID 164719046
[1-(cyclopropylmethyl)pyrazol-4-yl]-[1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]-3-(trifluoromethyl)pyrazole
CID 164952007
1-(2,2-Difluoroethyl)pyrazole-4-carbaldehyde;[1-(2,2-difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;1-(4-fluoro-2-iodophenyl)-5-iodo-3-(trifluoromethyl)pyrazole
CID 164970395
(5-Bromo-1-ethylpyrazol-4-yl)-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164985610
1-Ethylpyrazole-4-carbaldehyde;(1-ethylpyrazol-4-yl)-[1-[4-fluoro-2-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol;[5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
CID 165013413
[1-(2,2-Difluoroethyl)pyrazol-4-yl]-[1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol;5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(4-fluoro-2-iodophenyl)-3-(trifluoromethyl)pyrazole
CID 165058449

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The IUPAC name of 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol (CID 164988637) is 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[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.Cc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2I)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
The InChIKey is GNKSRMXBXOZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN4O.C19H20FIN4/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;1-12-7-17(25(22-12)19-6-5-16(20)9-18(19)21)8-15-11-24(23-13(15)2)10-14-3-4-14/h5-8,10,13,19,26H,3-4,9H2,1-2H3;5-7,9,11,14H,3-4,8,10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol?
1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol has a molecular weight of 916.60 g/mol, XLogP of 8.35, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methyl]-3-methylpyrazole;[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]-[2-(4-fluoro-2-iodophenyl)-5-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 164988637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).