2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine

C19H18N4 — CID 8850832

IUPAC2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1
InChIInChI=1S/C19H18N4/c1-13-7-9-15(10-8-13)12-20-19-16-5-3-4-6-17(16)23-18(21-19)11-14(2)22-23/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyGAQHUECRIBHJFA-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.11
Rot. Bonds3

About 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine

2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8850832) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8850832
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1
InChIInChI=1S/C19H18N4/c1-13-7-9-15(10-8-13)12-20-19-16-5-3-4-6-17(16)23-18(21-19)11-14(2)22-23/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyGAQHUECRIBHJFA-UHFFFAOYSA-N
XLogP4.11
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine (CID 8850832) is 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine is Cc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is GAQHUECRIBHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-7-9-15(10-8-13)12-20-19-16-5-3-4-6-17(16)23-18(21-19)11-14(2)22-23/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine?
2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 302.38 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8850832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).