4-(1-phenylpyrazol-4-yl)quinazoline

C17H12N4 — CID 70691971

IUPAC4-(1-phenylpyrazol-4-yl)quinazoline
SMILESc1ccc(-n2cc(-c3ncnc4ccccc34)cn2)cc1
InChIInChI=1S/C17H12N4/c1-2-6-14(7-3-1)21-11-13(10-20-21)17-15-8-4-5-9-16(15)18-12-19-17/h1-12H
InChIKeyAXUNPUYTLRASPK-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 4-(1-phenylpyrazol-4-yl)quinazoline

4-(1-phenylpyrazol-4-yl)quinazoline (PubChem CID 70691971) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)quinazoline
PubChem CID70691971
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-(1-phenylpyrazol-4-yl)quinazoline
SMILESc1ccc(-n2cc(-c3ncnc4ccccc34)cn2)cc1
InChIInChI=1S/C17H12N4/c1-2-6-14(7-3-1)21-11-13(10-20-21)17-15-8-4-5-9-16(15)18-12-19-17/h1-12H
InChIKeyAXUNPUYTLRASPK-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)quinazoline?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)quinazoline (CID 70691971) is 4-(1-phenylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)quinazoline?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)quinazoline is c1ccc(-n2cc(-c3ncnc4ccccc34)cn2)cc1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)quinazoline?
The InChIKey is AXUNPUYTLRASPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-2-6-14(7-3-1)21-11-13(10-20-21)17-15-8-4-5-9-16(15)18-12-19-17/h1-12H.
What are the key properties of 4-(1-phenylpyrazol-4-yl)quinazoline?
4-(1-phenylpyrazol-4-yl)quinazoline has a molecular weight of 272.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 70691971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).