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

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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).