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

C19H25F2N3O — CID 56600546

IUPAC1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
InChIInChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3
InChIKeyNKGXNTZNACGEOG-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.04
Rot. Bonds7

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

1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600546) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID56600546
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1
InChIInChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3
InChIKeyNKGXNTZNACGEOG-UHFFFAOYSA-N
XLogP4.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzydamine
CID 12555
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
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
3-(Cyclohexylmethoxy)-1-(cyclohexylmethyl)indazole
CID 76321622
US11576897, Example 20
CID 56600157
US11576897, Example 30
CID 56600544
US10183913, Example 31
CID 56600545
US11576897, Example 34
CID 56600547
US11576897, Example 37
CID 56600549
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 56600546) is 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2cc(F)ccc2F)n(CC2CCCCC2)n1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is NKGXNTZNACGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-22-11-17-10-19(24(23-17)12-14-5-3-2-4-6-14)25-13-15-9-16(20)7-8-18(15)21/h7-10,14,22H,2-6,11-13H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 349.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).