2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol

C13H12ClN5O — CID 86839626

IUPAC2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2ncnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C13H12ClN5O/c14-9-1-2-11-12(5-9)15-8-16-13(11)18-10-6-17-19(7-10)3-4-20/h1-2,5-8,20H,3-4H2,(H,15,16,18)
InChIKeyWFCGWZIOXHIMSO-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.22
Rot. Bonds4

About 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 86839626) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol
PubChem CID86839626
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(Nc2ncnc3cc(Cl)ccc23)cn1
InChIInChI=1S/C13H12ClN5O/c14-9-1-2-11-12(5-9)15-8-16-13(11)18-10-6-17-19(7-10)3-4-20/h1-2,5-8,20H,3-4H2,(H,15,16,18)
InChIKeyWFCGWZIOXHIMSO-UHFFFAOYSA-N
XLogP2.22
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
N-(2-hydroxyethyl)-2-[4-[(6-methylquinazolin-4-yl)amino]pyrazol-1-yl]acetamide
CID 133427903
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921
1-(2,5-dichlorophenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 110911174
N-(3-fluorophenyl)-2-[4-[[7-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261545
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 141287434
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
CID 154455652

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol (CID 86839626) is 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol is OCCn1cc(Nc2ncnc3cc(Cl)ccc23)cn1.
What is the InChIKey of 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is WFCGWZIOXHIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-9-1-2-11-12(5-9)15-8-16-13(11)18-10-6-17-19(7-10)3-4-20/h1-2,5-8,20H,3-4H2,(H,15,16,18).
What are the key properties of 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 289.73 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroquinazolin-4-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 86839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).