cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde

C30H34F2N4O2 — CID 160749661

IUPACcyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1.Cc1cc(F)ccc1-n1cc(C=O)c(C)n1
InChIInChI=1S/C18H23FN2O.C12H11FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14;1-8-5-11(13)3-4-12(8)15-6-10(7-16)9(2)14-15/h8-11,14,18,22H,3-7H2,1-2H3;3-7H,1-2H3
InChIKeyRWQMVEOZICKNEI-UHFFFAOYSA-N
MW520.62 g/mol
LogP6.68
Rot. Bonds5

About cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde

cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde (PubChem CID 160749661) has the molecular formula C30H34F2N4O2 and a molecular weight of 520.62 g/mol. Its IUPAC name is cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Namecyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
PubChem CID160749661
Molecular FormulaC30H34F2N4O2
Molecular Weight520.62 g/mol
Exact Mass520.26
IUPAC Namecyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
SMILESCc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1.Cc1cc(F)ccc1-n1cc(C=O)c(C)n1
InChIInChI=1S/C18H23FN2O.C12H11FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14;1-8-5-11(13)3-4-12(8)15-6-10(7-16)9(2)14-15/h8-11,14,18,22H,3-7H2,1-2H3;3-7H,1-2H3
InChIKeyRWQMVEOZICKNEI-UHFFFAOYSA-N
XLogP6.68
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl[1-(4-fluoro-2-methylphenyl)-3-methyl-1H-pyrazol-4-yl]methanol
CID 66777264
5-(4-Fluorophenyl)-1-[2-(2-phenylethyl)phenyl]pyrazole-4-carboxylic acid
CID 70313489
1-[3-[2-(Hydroxymethyl)-5-methylcyclohexen-1-yl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626286
5-Cyclopropyl-1-[3-[2-fluoro-3-(5-methylpyrazol-1-yl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754210
Cyclohexyl-[3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol;3-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 158676696
1-Benzyl-3-methylpyrazole-4-carbaldehyde;1-(1-benzyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol;methane
CID 159180095
1-Phenyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid;1-phenyl-5-(1,1,1,2-tetrafluoropropan-2-yl)pyrazole-4-carboxylic acid
CID 159230441
Cyclohexyl-[3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol;3-ethyl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 159326702
1-Benzyl-3-methylpyrazole-4-carbaldehyde;1-(1-benzyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol;methane
CID 159705410
1-Benzyl-3-methylpyrazole-4-carbaldehyde;1-(1-benzyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 160262786
[3-(Difluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol;ethyl 3-(difluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 160538303
Cyclohexyl-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol;3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 161688256

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde?
The IUPAC name of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde (CID 160749661) is cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde.
What is the SMILES notation for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde?
The canonical SMILES for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde is Cc1cc(F)ccc1-n1cc(C(O)C2CCCCC2)c(C)n1.Cc1cc(F)ccc1-n1cc(C=O)c(C)n1.
What is the InChIKey of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde?
The InChIKey is RWQMVEOZICKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O.C12H11FN2O/c1-12-10-15(19)8-9-17(12)21-11-16(13(2)20-21)18(22)14-6-4-3-5-7-14;1-8-5-11(13)3-4-12(8)15-6-10(7-16)9(2)14-15/h8-11,14,18,22H,3-7H2,1-2H3;3-7H,1-2H3.
What are the key properties of cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde?
cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde has a molecular weight of 520.62 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[1-(4-fluoro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol;1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 160749661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).