4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline

C22H22N6 — CID 56912301

IUPAC4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline
SMILESc1ccc(-n2nccc2CN2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H22N6/c1-2-6-18(7-3-1)28-19(10-11-25-28)16-26-12-14-27(15-13-26)22-20-8-4-5-9-21(20)23-17-24-22/h1-11,17H,12-16H2
InChIKeySTBUAGSYTYWLLY-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.14
Rot. Bonds4

About 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline

4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline (PubChem CID 56912301) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline
PubChem CID56912301
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline
SMILESc1ccc(-n2nccc2CN2CCN(c3ncnc4ccccc34)CC2)cc1
InChIInChI=1S/C22H22N6/c1-2-6-18(7-3-1)28-19(10-11-25-28)16-26-12-14-27(15-13-26)22-20-8-4-5-9-21(20)23-17-24-22/h1-11,17H,12-16H2
InChIKeySTBUAGSYTYWLLY-UHFFFAOYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]quinazoline
CID 171327392
2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]phenol
CID 71508231
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinazoline
CID 9463976
4-(azepan-1-yl)quinazoline
CID 5207391
4-[4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazin-1-yl]quinazoline
CID 56887626
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844
4-(4-benzylpiperazin-1-yl)-6-iodoquinazoline
CID 1191450
methyl 4-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1H-pyrazole-5-carboxylate
CID 56893568
4-(4-imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)quinazoline
CID 166605534
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The IUPAC name of 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline (CID 56912301) is 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The canonical SMILES for 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline is c1ccc(-n2nccc2CN2CCN(c3ncnc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline?
The InChIKey is STBUAGSYTYWLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-2-6-18(7-3-1)28-19(10-11-25-28)16-26-12-14-27(15-13-26)22-20-8-4-5-9-21(20)23-17-24-22/h1-11,17H,12-16H2.
What are the key properties of 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline?
4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline has a molecular weight of 370.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-phenylpyrazol-3-yl)methyl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 56912301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).