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

C23H20N6 — CID 169231180

IUPAC4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCc1nn(C)c(-c2ccccc2)c1-c1ncnc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C23H20N6/c1-15-21(23(29(3)27-15)16-7-5-4-6-8-16)22-19-10-9-17(11-20(19)24-14-25-22)18-12-26-28(2)13-18/h4-14H,1-3H3
InChIKeyLNJUADFMNRPFPY-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.41
Rot. Bonds3

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

4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline (PubChem CID 169231180) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
PubChem CID169231180
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCc1nn(C)c(-c2ccccc2)c1-c1ncnc2cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C23H20N6/c1-15-21(23(29(3)27-15)16-7-5-4-6-8-16)22-19-10-9-17(11-20(19)24-14-25-22)18-12-26-28(2)13-18/h4-14H,1-3H3
InChIKeyLNJUADFMNRPFPY-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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Related Compounds

4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
CID 169231332
4-(1-ethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
CID 169231659
7-(1-methylpyrazol-4-yl)-4-(2-phenylimidazol-1-yl)quinazoline
CID 176978878
4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline
CID 169231330
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline
CID 176978877
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
4-(3-methyl-4-phenylphenyl)-7-pyridin-4-ylquinazoline
CID 157190490
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
[4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazolin-6-yl]methanol
CID 169231574
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
4-methyl-2-(1-methylpyrazol-4-yl)-8-phenylpyrazolo[1,5-a]quinazolin-5-one
CID 90013826

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The IUPAC name of 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline (CID 169231180) is 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The canonical SMILES for 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline is Cc1nn(C)c(-c2ccccc2)c1-c1ncnc2cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The InChIKey is LNJUADFMNRPFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-15-21(23(29(3)27-15)16-7-5-4-6-8-16)22-19-10-9-17(11-20(19)24-14-25-22)18-12-26-28(2)13-18/h4-14H,1-3H3.
What are the key properties of 4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
4-(1,3-dimethyl-5-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-(1,3-dimethyl-5-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 169231180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).