4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C38H39ClF6N8O2 — CID 157453115

IUPAC4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1.NC1CCC(O)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N4O.C13H7ClF3N3.C6H13NO/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-26-9-8-17(25-18(16)26)24-14-4-6-15(27)7-5-14;14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17;7-5-1-3-6(8)4-2-5/h1-3,8-11,14-15,27H,4-7H2,(H,24,25);1-7H;5-6,8H,1-4,7H2
InChIKeyBTAKDUKSFDHNQK-UHFFFAOYSA-N
MW789.23 g/mol
LogP8.45
Rot. Bonds4

About 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 157453115) has the molecular formula C38H39ClF6N8O2 and a molecular weight of 789.23 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID157453115
Molecular FormulaC38H39ClF6N8O2
Molecular Weight789.23 g/mol
Exact Mass788.28
IUPAC Name4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESFC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1.NC1CCC(O)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1
InChIInChI=1S/C19H19F3N4O.C13H7ClF3N3.C6H13NO/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-26-9-8-17(25-18(16)26)24-14-4-6-15(27)7-5-14;14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17;7-5-1-3-6(8)4-2-5/h1-3,8-11,14-15,27H,4-7H2,(H,24,25);1-7H;5-6,8H,1-4,7H2
InChIKeyBTAKDUKSFDHNQK-UHFFFAOYSA-N
XLogP8.45
TPSA138.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.23
LogP ≤ 58.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-4-((3-(3-(Trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-5-yl)amino)cyclohexanol
CID 66598095
4-[[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598126
1-Methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598186
N-(4-methoxycyclohexyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 66615220
4-[[3-(4-Fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 59662219
4-[[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 59662243
1-[4-[[3-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 66612438
4-[[3-(3-Chlorophenyl)-1-[4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]-2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-6-yl]amino]cyclohexan-1-ol
CID 123595667
4-[[3-[3-[6-[(4-Methoxycyclohexyl)amino]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]-5-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol
CID 123746163
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;propan-2-ol
CID 144515368
4-Aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 157759483
2-(4-Aminocyclohexyl)propan-2-ol;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 159324711

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 157453115) is 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is FC(F)(F)c1cccc(-c2cnn3ccc(Cl)nc23)c1.NC1CCC(O)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.
What is the InChIKey of 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is BTAKDUKSFDHNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O.C13H7ClF3N3.C6H13NO/c20-19(21,22)13-3-1-2-12(10-13)16-11-23-26-9-8-17(25-18(16)26)24-14-4-6-15(27)7-5-14;14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17;7-5-1-3-6(8)4-2-5/h1-3,8-11,14-15,27H,4-7H2,(H,24,25);1-7H;5-6,8H,1-4,7H2.
What are the key properties of 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 789.23 g/mol, XLogP of 8.45, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexan-1-ol;5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 157453115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).