4-(3-methylpyrazol-1-yl)quinazolin-7-amine

C12H11N5 — CID 65336078

IUPAC4-(3-methylpyrazol-1-yl)quinazolin-7-amine
SMILESCc1ccn(-c2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C12H11N5/c1-8-4-5-17(16-8)12-10-3-2-9(13)6-11(10)14-7-15-12/h2-7H,13H2,1H3
InChIKeyQMWIUOBJRPOSSB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.71
Rot. Bonds1

About 4-(3-methylpyrazol-1-yl)quinazolin-7-amine

4-(3-methylpyrazol-1-yl)quinazolin-7-amine (PubChem CID 65336078) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)quinazolin-7-amine
PubChem CID65336078
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-(3-methylpyrazol-1-yl)quinazolin-7-amine
SMILESCc1ccn(-c2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C12H11N5/c1-8-4-5-17(16-8)12-10-3-2-9(13)6-11(10)14-7-15-12/h2-7H,13H2,1H3
InChIKeyQMWIUOBJRPOSSB-UHFFFAOYSA-N
XLogP1.71
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazol-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(3-methylpyrazol-1-yl)quinazolin-7-amine (CID 65336078) is 4-(3-methylpyrazol-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)quinazolin-7-amine is Cc1ccn(-c2ncnc3cc(N)ccc23)n1.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)quinazolin-7-amine?
The InChIKey is QMWIUOBJRPOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-4-5-17(16-8)12-10-3-2-9(13)6-11(10)14-7-15-12/h2-7H,13H2,1H3.
What are the key properties of 4-(3-methylpyrazol-1-yl)quinazolin-7-amine?
4-(3-methylpyrazol-1-yl)quinazolin-7-amine has a molecular weight of 225.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)quinazolin-7-amine is sourced from PubChem (CID 65336078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).