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

C19H26FN3O — CID 56600157

IUPAC1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(CC2CCCCC2)n1
InChIInChI=1S/C19H26FN3O/c1-21-12-17-11-19(24-14-16-9-5-6-10-18(16)20)23(22-17)13-15-7-3-2-4-8-15/h5-6,9-11,15,21H,2-4,7-8,12-14H2,1H3
InChIKeyKXEZUXJCVHYFBX-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.90
Rot. Bonds7

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

1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (PubChem CID 56600157) has the molecular formula C19H26FN3O and a molecular weight of 331.43 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
PubChem CID56600157
Molecular FormulaC19H26FN3O
Molecular Weight331.43 g/mol
Exact Mass331.21
IUPAC Name1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(OCc2ccccc2F)n(CC2CCCCC2)n1
InChIInChI=1S/C19H26FN3O/c1-21-12-17-11-19(24-14-16-9-5-6-10-18(16)20)23(22-17)13-15-7-3-2-4-8-15/h5-6,9-11,15,21H,2-4,7-8,12-14H2,1H3
InChIKeyKXEZUXJCVHYFBX-UHFFFAOYSA-N
XLogP3.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.90
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-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine (CID 56600157) is 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is CNCc1cc(OCc2ccccc2F)n(CC2CCCCC2)n1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is KXEZUXJCVHYFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-21-12-17-11-19(24-14-16-9-5-6-10-18(16)20)23(22-17)13-15-7-3-2-4-8-15/h5-6,9-11,15,21H,2-4,7-8,12-14H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclohexylmethyl)-5-[(2-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 331.43 g/mol, XLogP of 3.90, 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-fluorophenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 56600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).