4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C19H21F3N4O — CID 136932631

IUPAC4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2C=Cn3ncc(-c4cccc(C(F)(F)F)c4)c3N2)CC1
InChIInChI=1S/C19H21F3N4O/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/h1-3,8-11,14-15,17,24-25,27H,4-7H2
InChIKeyNFXNFFRWUKYQRN-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.68
Rot. Bonds3

About 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 136932631) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID136932631
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(NC2C=Cn3ncc(-c4cccc(C(F)(F)F)c4)c3N2)CC1
InChIInChI=1S/C19H21F3N4O/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/h1-3,8-11,14-15,17,24-25,27H,4-7H2
InChIKeyNFXNFFRWUKYQRN-UHFFFAOYSA-N
XLogP3.68
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 136932631) is 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is OC1CCC(NC2C=Cn3ncc(-c4cccc(C(F)(F)F)c4)c3N2)CC1.
What is the InChIKey of 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is NFXNFFRWUKYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/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/h1-3,8-11,14-15,17,24-25,27H,4-7H2.
What are the key properties of 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 378.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[3-(trifluoromethyl)phenyl]-4,5-dihydropyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 136932631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).