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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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).