2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline

C15H15ClN4 — CID 62477705

IUPAC2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
SMILESCCc1c(C)nn(-c2nc(Cl)nc3ccccc23)c1C
InChIInChI=1S/C15H15ClN4/c1-4-11-9(2)19-20(10(11)3)14-12-7-5-6-8-13(12)17-15(16)18-14/h5-8H,4H2,1-3H3
InChIKeyKZVDNQHRFIQCKO-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline

2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline (PubChem CID 62477705) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
PubChem CID62477705
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline
SMILESCCc1c(C)nn(-c2nc(Cl)nc3ccccc23)c1C
InChIInChI=1S/C15H15ClN4/c1-4-11-9(2)19-20(10(11)3)14-12-7-5-6-8-13(12)17-15(16)18-14/h5-8H,4H2,1-3H3
InChIKeyKZVDNQHRFIQCKO-UHFFFAOYSA-N
XLogP3.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline?
The IUPAC name of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline (CID 62477705) is 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline.
What is the SMILES notation for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline?
The canonical SMILES for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline is CCc1c(C)nn(-c2nc(Cl)nc3ccccc23)c1C.
What is the InChIKey of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline?
The InChIKey is KZVDNQHRFIQCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-4-11-9(2)19-20(10(11)3)14-12-7-5-6-8-13(12)17-15(16)18-14/h5-8H,4H2,1-3H3.
What are the key properties of 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline?
2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline has a molecular weight of 286.77 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline is sourced from PubChem (CID 62477705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).