5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C17H14ClN3 — CID 652880

IUPAC5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccccc1Cl)Nc1ccccc1-2
InChIInChI=1S/C17H14ClN3/c1-11-10-16-13-7-3-5-9-15(13)19-17(21(16)20-11)12-6-2-4-8-14(12)18/h2-10,17,19H,1H3
InChIKeyVOSCGFYSRVRRKS-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.48
Rot. Bonds1

About 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 652880) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID652880
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccccc1Cl)Nc1ccccc1-2
InChIInChI=1S/C17H14ClN3/c1-11-10-16-13-7-3-5-9-15(13)19-17(21(16)20-11)12-6-2-4-8-14(12)18/h2-10,17,19H,1H3
InChIKeyVOSCGFYSRVRRKS-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 652880) is 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1ccccc1Cl)Nc1ccccc1-2.
What is the InChIKey of 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is VOSCGFYSRVRRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-10-16-13-7-3-5-9-15(13)19-17(21(16)20-11)12-6-2-4-8-14(12)18/h2-10,17,19H,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 295.77 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 652880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).