4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline

C21H20N6 — CID 22031719

IUPAC4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
SMILESc1ccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1
InChIInChI=1S/C21H20N6/c1-2-4-18(5-3-1)26-8-10-27(11-9-26)21-19-12-16(17-13-24-25-14-17)6-7-20(19)22-15-23-21/h1-7,12-15H,8-11H2,(H,24,25)
InChIKeyMLMCPSYINSZMGO-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.35
Rot. Bonds3

About 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline

4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline (PubChem CID 22031719) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
PubChem CID22031719
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
SMILESc1ccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1
InChIInChI=1S/C21H20N6/c1-2-4-18(5-3-1)26-8-10-27(11-9-26)21-19-12-16(17-13-24-25-14-17)6-7-20(19)22-15-23-21/h1-7,12-15H,8-11H2,(H,24,25)
InChIKeyMLMCPSYINSZMGO-UHFFFAOYSA-N
XLogP3.35
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
CID 159342726
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
CID 22032423
3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
4-[4-(3-propan-2-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031492
N-benzyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22031106
tris(2,2,2-trifluoroacetic acid);N,2,2-trimethyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]propanamide
CID 22031934
4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;hydrochloride
CID 22032454
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline (CID 22031719) is 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline is c1ccc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
The InChIKey is MLMCPSYINSZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-2-4-18(5-3-1)26-8-10-27(11-9-26)21-19-12-16(17-13-24-25-14-17)6-7-20(19)22-15-23-21/h1-7,12-15H,8-11H2,(H,24,25).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline?
4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline has a molecular weight of 356.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 22031719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).