N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine

C17H13N5 — CID 150460233

IUPACN-(4-pyrazol-1-ylphenyl)quinazolin-2-amine
SMILESc1ccc2nc(Nc3ccc(-n4cccn4)cc3)ncc2c1
InChIInChI=1S/C17H13N5/c1-2-5-16-13(4-1)12-18-17(21-16)20-14-6-8-15(9-7-14)22-11-3-10-19-22/h1-12H,(H,18,20,21)
InChIKeyHPQAYKKBHBUSIC-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.56
Rot. Bonds3

About N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine

N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine (PubChem CID 150460233) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)quinazolin-2-amine
PubChem CID150460233
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC NameN-(4-pyrazol-1-ylphenyl)quinazolin-2-amine
SMILESc1ccc2nc(Nc3ccc(-n4cccn4)cc3)ncc2c1
InChIInChI=1S/C17H13N5/c1-2-5-16-13(4-1)12-18-17(21-16)20-14-6-8-15(9-7-14)22-11-3-10-19-22/h1-12H,(H,18,20,21)
InChIKeyHPQAYKKBHBUSIC-UHFFFAOYSA-N
XLogP3.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-fluoroethyl)-4-N-quinazolin-2-ylbenzene-1,4-diamine
CID 154515167
8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375336
8-cyclopentyl-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375032
8-[1-(4-phenylphenyl)ethyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375257
8-(1-phenylprop-2-ynyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375109
N-(4-prop-2-enylphenyl)quinazolin-2-amine
CID 174758474
8-(1-methoxypropan-2-yl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375039
2-(4-pyrazol-1-ylanilino)-8-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 18375214
8-(cyclohexylmethyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18374998
8-(2-methylcyclohexyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375231
8-[(3-phenoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375307
8-[(3,5-dimethoxyphenyl)methyl]-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 18375244

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine (CID 150460233) is N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine is c1ccc2nc(Nc3ccc(-n4cccn4)cc3)ncc2c1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine?
The InChIKey is HPQAYKKBHBUSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-5-16-13(4-1)12-18-17(21-16)20-14-6-8-15(9-7-14)22-11-3-10-19-22/h1-12H,(H,18,20,21).
What are the key properties of N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine?
N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 150460233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).