6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine

C19H17N5 — CID 133277823

IUPAC6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3ccn(-c4ccccc4)n3)c2c1
InChIInChI=1S/C19H17N5/c1-14-7-8-18-17(11-14)19(22-13-21-18)20-12-15-9-10-24(23-15)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21,22)
InChIKeyTUWMTBQBJPZVBO-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.74
Rot. Bonds4

About 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine

6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine (PubChem CID 133277823) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
PubChem CID133277823
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3ccn(-c4ccccc4)n3)c2c1
InChIInChI=1S/C19H17N5/c1-14-7-8-18-17(11-14)19(22-13-21-18)20-12-15-9-10-24(23-15)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21,22)
InChIKeyTUWMTBQBJPZVBO-UHFFFAOYSA-N
XLogP3.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine (CID 133277823) is 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine is Cc1ccc2ncnc(NCc3ccn(-c4ccccc4)n3)c2c1.
What is the InChIKey of 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine?
The InChIKey is TUWMTBQBJPZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-7-8-18-17(11-14)19(22-13-21-18)20-12-15-9-10-24(23-15)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine?
6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133277823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).