N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C20H21F3N4O2 — CID 66615233

IUPACN-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-28-15-7-5-14(6-8-15)25-18-9-10-27-19(26-18)17(12-24-27)13-3-2-4-16(11-13)29-20(21,22)23/h2-4,9-12,14-15H,5-8H2,1H3,(H,25,26)
InChIKeyJOUAHPWBRPLGSY-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.66
Rot. Bonds5

About N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 66615233) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID66615233
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC NameN-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-28-15-7-5-14(6-8-15)25-18-9-10-27-19(26-18)17(12-24-27)13-3-2-4-16(11-13)29-20(21,22)23/h2-4,9-12,14-15H,5-8H2,1H3,(H,25,26)
InChIKeyJOUAHPWBRPLGSY-UHFFFAOYSA-N
XLogP4.66
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 66615233) is N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is COC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is JOUAHPWBRPLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-28-15-7-5-14(6-8-15)25-18-9-10-27-19(26-18)17(12-24-27)13-3-2-4-16(11-13)29-20(21,22)23/h2-4,9-12,14-15H,5-8H2,1H3,(H,25,26).
What are the key properties of N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 406.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 66615233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).