(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol

C18H14FN5O — CID 46892368

IUPAC(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-21-14-4-2-1-3-13(14)17(23-18)22-15-9-10-20-24-15/h1-10,16,25H,(H2,20,21,22,23,24)
InChIKeyYQRUVPUESDISNB-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.32
Rot. Bonds4

About (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol

(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol (PubChem CID 46892368) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
PubChem CID46892368
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol
SMILESOC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccccc2n1
InChIInChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-21-14-4-2-1-3-13(14)17(23-18)22-15-9-10-20-24-15/h1-10,16,25H,(H2,20,21,22,23,24)
InChIKeyYQRUVPUESDISNB-UHFFFAOYSA-N
XLogP3.32
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol (CID 46892368) is (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol is OC(c1ccc(F)cc1)c1nc(Nc2ccn[nH]2)c2ccccc2n1.
What is the InChIKey of (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
The InChIKey is YQRUVPUESDISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-12-7-5-11(6-8-12)16(25)18-21-14-4-2-1-3-13(14)17(23-18)22-15-9-10-20-24-15/h1-10,16,25H,(H2,20,21,22,23,24).
What are the key properties of (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol?
(4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol has a molecular weight of 335.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]methanol is sourced from PubChem (CID 46892368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).