N-(1-benzylpyrazol-3-yl)quinazolin-4-amine

C18H15N5 — CID 133287406

IUPACN-(1-benzylpyrazol-3-yl)quinazolin-4-amine
SMILESc1ccc(Cn2ccc(Nc3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-23-11-10-17(22-23)21-18-15-8-4-5-9-16(15)19-13-20-18/h1-11,13H,12H2,(H,19,20,21,22)
InChIKeyCSNRTJZHYFQGCA-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.62
Rot. Bonds4

About N-(1-benzylpyrazol-3-yl)quinazolin-4-amine

N-(1-benzylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 133287406) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)quinazolin-4-amine
PubChem CID133287406
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC NameN-(1-benzylpyrazol-3-yl)quinazolin-4-amine
SMILESc1ccc(Cn2ccc(Nc3ncnc4ccccc34)n2)cc1
InChIInChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-23-11-10-17(22-23)21-18-15-8-4-5-9-16(15)19-13-20-18/h1-11,13H,12H2,(H,19,20,21,22)
InChIKeyCSNRTJZHYFQGCA-UHFFFAOYSA-N
XLogP3.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpyrazol-3-yl)quinazolin-4-amine (CID 133287406) is N-(1-benzylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)quinazolin-4-amine is c1ccc(Cn2ccc(Nc3ncnc4ccccc34)n2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is CSNRTJZHYFQGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-2-6-14(7-3-1)12-23-11-10-17(22-23)21-18-15-8-4-5-9-16(15)19-13-20-18/h1-11,13H,12H2,(H,19,20,21,22).
What are the key properties of N-(1-benzylpyrazol-3-yl)quinazolin-4-amine?
N-(1-benzylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 133287406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).