5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine

C17H14N6 — CID 675349

IUPAC5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1
InChIInChI=1S/C17H14N6/c1-11-9-15(18)23(22-11)17-13-6-2-3-7-14(13)20-16(21-17)12-5-4-8-19-10-12/h2-10H,18H2,1H3
InChIKeyKBSMTXBDBDYBCR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.77
Rot. Bonds2

About 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine

5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine (PubChem CID 675349) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine
PubChem CID675349
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine
SMILESCc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1
InChIInChI=1S/C17H14N6/c1-11-9-15(18)23(22-11)17-13-6-2-3-7-14(13)20-16(21-17)12-5-4-8-19-10-12/h2-10H,18H2,1H3
InChIKeyKBSMTXBDBDYBCR-UHFFFAOYSA-N
XLogP2.77
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine (CID 675349) is 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine is Cc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1.
What is the InChIKey of 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine?
The InChIKey is KBSMTXBDBDYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-11-9-15(18)23(22-11)17-13-6-2-3-7-14(13)20-16(21-17)12-5-4-8-19-10-12/h2-10H,18H2,1H3.
What are the key properties of 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine?
5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine has a molecular weight of 302.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyridin-3-ylquinazolin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 675349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).