1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine

C20H28FN3O — CID 56600545

IUPAC1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3
InChIKeyGWZYZOUAKPPJOV-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.21
Rot. Bonds7

About 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine

1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600545) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID56600545
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3
InChIKeyGWZYZOUAKPPJOV-UHFFFAOYSA-N
XLogP4.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.21
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-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 56600545) is 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccc(F)cc2C)n(CC2CCCCC2)n1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is GWZYZOUAKPPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-15-10-18(21)9-8-17(15)14-25-20-11-19(12-22-2)23-24(20)13-16-6-4-3-5-7-16/h8-11,16,22H,3-7,12-14H2,1-2H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclohexylmethyl)-5-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 345.46 g/mol, XLogP of 4.21, 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-[(4-fluoro-2-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).