4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C18H19ClN4O — CID 66598126

IUPAC4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIInChI=1S/C18H19ClN4O/c19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14/h1-3,8-11,14-15,24H,4-7H2,(H,21,22)
InChIKeyICMWGEHZAFFUFB-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.77
Rot. Bonds3

About 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 66598126) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID66598126
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIInChI=1S/C18H19ClN4O/c19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14/h1-3,8-11,14-15,24H,4-7H2,(H,21,22)
InChIKeyICMWGEHZAFFUFB-UHFFFAOYSA-N
XLogP3.77
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 66598126) is 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.
What is the InChIKey of 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is ICMWGEHZAFFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14/h1-3,8-11,14-15,24H,4-7H2,(H,21,22).
What are the key properties of 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 342.83 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66598126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).