1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine

C19H24F3N3O — CID 66665537

IUPAC1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F
InChIInChI=1S/C19H24F3N3O/c1-23-10-17-18(22)19(25(24-17)11-13-5-3-2-4-6-13)26-12-14-9-15(20)7-8-16(14)21/h7-9,13,23H,2-6,10-12H2,1H3
InChIKeyGQHSWEDTHMXRID-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.18
Rot. Bonds7

About 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine

1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine (PubChem CID 66665537) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine
PubChem CID66665537
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F
InChIInChI=1S/C19H24F3N3O/c1-23-10-17-18(22)19(25(24-17)11-13-5-3-2-4-6-13)26-12-14-9-15(20)7-8-16(14)21/h7-9,13,23H,2-6,10-12H2,1H3
InChIKeyGQHSWEDTHMXRID-UHFFFAOYSA-N
XLogP4.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.18
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]-4-fluoropyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine (CID 66665537) is 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine is CNCc1nn(CC2CCCCC2)c(OCc2cc(F)ccc2F)c1F.
What is the InChIKey of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine?
The InChIKey is GQHSWEDTHMXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-23-10-17-18(22)19(25(24-17)11-13-5-3-2-4-6-13)26-12-14-9-15(20)7-8-16(14)21/h7-9,13,23H,2-6,10-12H2,1H3.
What are the key properties of 1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine?
1-[1-(cyclohexylmethyl)-5-[(2,5-difluorophenyl)methoxy]-4-fluoropyrazol-3-yl]-N-methylmethanamine has a molecular weight of 367.42 g/mol, XLogP of 4.18, 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]-4-fluoropyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66665537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).