4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol

C23H26FN3O — CID 42215151

IUPAC4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
SMILESCc1cccc(-n2cc(CNC3CCC(O)CC3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H26FN3O/c1-16-4-2-7-21(12-16)27-15-18(14-25-20-8-10-22(28)11-9-20)23(26-27)17-5-3-6-19(24)13-17/h2-7,12-13,15,20,22,25,28H,8-11,14H2,1H3
InChIKeyQBFFGQRUWTYGKP-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.38
Rot. Bonds5

About 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol

4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol (PubChem CID 42215151) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
PubChem CID42215151
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol
SMILESCc1cccc(-n2cc(CNC3CCC(O)CC3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H26FN3O/c1-16-4-2-7-21(12-16)27-15-18(14-25-20-8-10-22(28)11-9-20)23(26-27)17-5-3-6-19(24)13-17/h2-7,12-13,15,20,22,25,28H,8-11,14H2,1H3
InChIKeyQBFFGQRUWTYGKP-UHFFFAOYSA-N
XLogP4.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 42567707
N-[2-[1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-yl]ethyl]acetamide
CID 26332794
[(3R)-4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 95873525
[4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
CID 70747526
2-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 25378437
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-2-one
CID 70768807
methyl 2-[(2S)-1-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-3-oxopiperazin-2-yl]acetate
CID 25311862
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 28730007
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 29151070
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol (CID 42215151) is 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol is Cc1cccc(-n2cc(CNC3CCC(O)CC3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol?
The InChIKey is QBFFGQRUWTYGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-16-4-2-7-21(12-16)27-15-18(14-25-20-8-10-22(28)11-9-20)23(26-27)17-5-3-6-19(24)13-17/h2-7,12-13,15,20,22,25,28H,8-11,14H2,1H3.
What are the key properties of 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol?
4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol has a molecular weight of 379.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 42215151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).