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

C20H29ClFN3O — CID 66665525

IUPAC1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl
InChIInChI=1S/C20H28FN3O.ClH/c1-15-8-9-19(21)17(10-15)14-25-20-11-18(12-22-2)23-24(20)13-16-6-4-3-5-7-16;/h8-11,16,22H,3-7,12-14H2,1-2H3;1H
InChIKeyKHMFDAAWCFJHDQ-UHFFFAOYSA-N
MW381.92 g/mol
LogP4.63
Rot. Bonds7

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

1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 66665525) has the molecular formula C20H29ClFN3O and a molecular weight of 381.92 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID66665525
Molecular FormulaC20H29ClFN3O
Molecular Weight381.92 g/mol
Exact Mass381.20
IUPAC Name1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl
InChIInChI=1S/C20H28FN3O.ClH/c1-15-8-9-19(21)17(10-15)14-25-20-11-18(12-22-2)23-24(20)13-16-6-4-3-5-7-16;/h8-11,16,22H,3-7,12-14H2,1-2H3;1H
InChIKeyKHMFDAAWCFJHDQ-UHFFFAOYSA-N
XLogP4.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 54.63
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-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 66665525) is 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(OCc2cc(C)ccc2F)n(CC2CCCCC2)n1.Cl.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is KHMFDAAWCFJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O.ClH/c1-15-8-9-19(21)17(10-15)14-25-20-11-18(12-22-2)23-24(20)13-16-6-4-3-5-7-16;/h8-11,16,22H,3-7,12-14H2,1-2H3;1H.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(cyclohexylmethyl)-5-[(2-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 381.92 g/mol, XLogP of 4.63, 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-fluoro-5-methylphenyl)methoxy]pyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66665525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).