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

C17H13ClFN3 — CID 3158659

IUPAC5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1c(F)cccc1Cl)Nc1ccccc1-2
InChIInChI=1S/C17H13ClFN3/c1-10-9-15-11-5-2-3-8-14(11)20-17(22(15)21-10)16-12(18)6-4-7-13(16)19/h2-9,17,20H,1H3
InChIKeyUNDVUCWWVOAOJI-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.62
Rot. Bonds1

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

5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158659) has the molecular formula C17H13ClFN3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158659
Molecular FormulaC17H13ClFN3
Molecular Weight313.76 g/mol
Exact Mass313.08
IUPAC Name5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1c(F)cccc1Cl)Nc1ccccc1-2
InChIInChI=1S/C17H13ClFN3/c1-10-9-15-11-5-2-3-8-14(11)20-17(22(15)21-10)16-12(18)6-4-7-13(16)19/h2-9,17,20H,1H3
InChIKeyUNDVUCWWVOAOJI-UHFFFAOYSA-N
XLogP4.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158659) is 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1c(F)cccc1Cl)Nc1ccccc1-2.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is UNDVUCWWVOAOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3/c1-10-9-15-11-5-2-3-8-14(11)20-17(22(15)21-10)16-12(18)6-4-7-13(16)19/h2-9,17,20H,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 313.76 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).