N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine

C21H27F2N3O — CID 66665156

IUPACN-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1
InChIInChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2
InChIKeyGRNUUIMWIIPWCH-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.57
Rot. Bonds8

About N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 66665156) has the molecular formula C21H27F2N3O and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID66665156
Molecular FormulaC21H27F2N3O
Molecular Weight375.46 g/mol
Exact Mass375.21
IUPAC NameN-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1
InChIInChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2
InChIKeyGRNUUIMWIIPWCH-UHFFFAOYSA-N
XLogP4.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US11576897, Example 34
CID 56600547
US11576897, Example 37
CID 56600549
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine (CID 66665156) is N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine is Fc1ccc(F)c(COc2cc(CNC3CC3)nn2CC2CCCCC2)c1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is GRNUUIMWIIPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O/c22-17-6-9-20(23)16(10-17)14-27-21-11-19(12-24-18-7-8-18)25-26(21)13-15-4-2-1-3-5-15/h6,9-11,15,18,24H,1-5,7-8,12-14H2.
What are the key properties of N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 375.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66665156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).