N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide

C19H15FN6O — CID 154455652

IUPACN-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3ccccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C19H15FN6O/c20-13-4-3-5-14(8-13)24-18(27)11-26-10-15(9-23-26)25-19-16-6-1-2-7-17(16)21-12-22-19/h1-10,12H,11H2,(H,24,27)(H,21,22,25)
InChIKeyUPEZFRIJHCOAPJ-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.35
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide (PubChem CID 154455652) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
PubChem CID154455652
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC NameN-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(Nc2ncnc3ccccc23)cn1)Nc1cccc(F)c1
InChIInChI=1S/C19H15FN6O/c20-13-4-3-5-14(8-13)24-18(27)11-26-10-15(9-23-26)25-19-16-6-1-2-7-17(16)21-12-22-19/h1-10,12H,11H2,(H,24,27)(H,21,22,25)
InChIKeyUPEZFRIJHCOAPJ-UHFFFAOYSA-N
XLogP3.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[7-(3-chloropropoxy)-6-fluoroquinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 11178946
N-(3-fluorophenyl)-2-[4-[[7-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261545
N-(3-fluorophenyl)-2-[4-[[7-[[(2S)-1-(2-hydroxyacetyl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 68638956
2-[4-[[7-[3-(cyclopropylmethylamino)propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 11785694
N-(3-fluorophenyl)-2-[4-[[7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 67261315
N-(3-fluorophenyl)-2-[4-[[6-methoxy-7-[3-[methyl(2-methylpropyl)amino]propoxy]quinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 11444021
2-[1-[4-[[1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazol-4-yl]amino]quinazolin-7-yl]oxypentan-3-ylamino]ethyl dihydrogen phosphate
CID 11410698
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
N-(3-fluorophenyl)-2-[4-[[7-[3-[2-hydroxyethyl(2-methylpropyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]pyrazol-1-yl]acetamide
CID 11353566
N-(3-fluorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362322
N-(3-fluorophenyl)-2-[4-[(6-fluoro-7-phenylmethoxyquinazolin-2-yl)amino]pyrazol-1-yl]acetamide;hydrochloride
CID 68639068
2-[3-[[7-(3-chloropropoxy)quinazolin-4-yl]amino]pyrazol-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 69291124

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide (CID 154455652) is N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide is O=C(Cn1cc(Nc2ncnc3ccccc23)cn1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is UPEZFRIJHCOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-13-4-3-5-14(8-13)24-18(27)11-26-10-15(9-23-26)25-19-16-6-1-2-7-17(16)21-12-22-19/h1-10,12H,11H2,(H,24,27)(H,21,22,25).
What are the key properties of N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 362.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(quinazolin-4-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 154455652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).