4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline

C21H15FN6 — CID 169231330

IUPAC4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCn1cc(-c2ccc3c(-c4cn[nH]c4-c4ccccc4F)ncnc3c2)cn1
InChIInChI=1S/C21H15FN6/c1-28-11-14(9-26-28)13-6-7-16-19(8-13)23-12-24-20(16)17-10-25-27-21(17)15-4-2-3-5-18(15)22/h2-12H,1H3,(H,25,27)
InChIKeyUCBHQHYUUPFPSU-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.23
Rot. Bonds3

About 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline

4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline (PubChem CID 169231330) has the molecular formula C21H15FN6 and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline
PubChem CID169231330
Molecular FormulaC21H15FN6
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCn1cc(-c2ccc3c(-c4cn[nH]c4-c4ccccc4F)ncnc3c2)cn1
InChIInChI=1S/C21H15FN6/c1-28-11-14(9-26-28)13-6-7-16-19(8-13)23-12-24-20(16)17-10-25-27-21(17)15-4-2-3-5-18(15)22/h2-12H,1H3,(H,25,27)
InChIKeyUCBHQHYUUPFPSU-UHFFFAOYSA-N
XLogP4.23
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline?
The IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline (CID 169231330) is 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline is Cn1cc(-c2ccc3c(-c4cn[nH]c4-c4ccccc4F)ncnc3c2)cn1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline?
The InChIKey is UCBHQHYUUPFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6/c1-28-11-14(9-26-28)13-6-7-16-19(8-13)23-12-24-20(16)17-10-25-27-21(17)15-4-2-3-5-18(15)22/h2-12H,1H3,(H,25,27).
What are the key properties of 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline?
4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline has a molecular weight of 370.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-(1-methylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 169231330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).