2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol

C25H31FN4O — CID 42210143

IUPAC2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol
SMILESCc1ccc(-n2cc(CNCC3CCN(CCO)CC3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H31FN4O/c1-19-2-8-24(9-3-19)30-18-22(25(28-30)21-4-6-23(26)7-5-21)17-27-16-20-10-12-29(13-11-20)14-15-31/h2-9,18,20,27,31H,10-17H2,1H3
InChIKeyBVORMTXTNBXTKS-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.78
Rot. Bonds8

About 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 42210143) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID42210143
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol
SMILESCc1ccc(-n2cc(CNCC3CCN(CCO)CC3)c(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H31FN4O/c1-19-2-8-24(9-3-19)30-18-22(25(28-30)21-4-6-23(26)7-5-21)17-27-16-20-10-12-29(13-11-20)14-15-31/h2-9,18,20,27,31H,10-17H2,1H3
InChIKeyBVORMTXTNBXTKS-UHFFFAOYSA-N
XLogP3.78
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-N',N'-dimethyl-ethane-1,2-diamine
CID 16187218
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16187528
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-methoxy-N-methylethanamine
CID 16187753
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
N-{[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-3-ethoxy-1-propanamine
CID 16188424
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 16188428
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
{1-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 16191315
[1-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16191943
3-({[1-(2,4-difluorophenyl)-3-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propan-1-ol
CID 16192174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol (CID 42210143) is 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol is Cc1ccc(-n2cc(CNCC3CCN(CCO)CC3)c(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is BVORMTXTNBXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-19-2-8-24(9-3-19)30-18-22(25(28-30)21-4-6-23(26)7-5-21)17-27-16-20-10-12-29(13-11-20)14-15-31/h2-9,18,20,27,31H,10-17H2,1H3.
What are the key properties of 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 422.55 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 42210143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).