4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline

C23H20N6 — CID 169231332

IUPAC4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCc1c(-c2ncnc3cc(-c4cnn(C)c4)ccc23)c(-c2ccccc2)nn1C
InChIInChI=1S/C23H20N6/c1-15-21(22(27-29(15)3)16-7-5-4-6-8-16)23-19-10-9-17(11-20(19)24-14-25-23)18-12-26-28(2)13-18/h4-14H,1-3H3
InChIKeyIGDVSYYFZCXLLV-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.41
Rot. Bonds3

About 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline

4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline (PubChem CID 169231332) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
PubChem CID169231332
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCc1c(-c2ncnc3cc(-c4cnn(C)c4)ccc23)c(-c2ccccc2)nn1C
InChIInChI=1S/C23H20N6/c1-15-21(22(27-29(15)3)16-7-5-4-6-8-16)23-19-10-9-17(11-20(19)24-14-25-23)18-12-26-28(2)13-18/h4-14H,1-3H3
InChIKeyIGDVSYYFZCXLLV-UHFFFAOYSA-N
XLogP4.41
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The IUPAC name of 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline (CID 169231332) is 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The canonical SMILES for 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline is Cc1c(-c2ncnc3cc(-c4cnn(C)c4)ccc23)c(-c2ccccc2)nn1C.
What is the InChIKey of 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The InChIKey is IGDVSYYFZCXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-15-21(22(27-29(15)3)16-7-5-4-6-8-16)23-19-10-9-17(11-20(19)24-14-25-23)18-12-26-28(2)13-18/h4-14H,1-3H3.
What are the key properties of 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline has a molecular weight of 380.46 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 169231332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).